782 ACE_NIAID Includes the study of biology using computational techniques and the creation of tools that work on biological data. Also includes the effective use of biomedical data, information, and knowledge for scientific inquiry, problem solving, and decision making to improve human health. A variety of applications, including drug discovery & design using Monte Carlo simulations and evolutionary biology with mutual information calculations. Also genomics and medical imaging analysis. Darrell Hurt National Institute of Allergy and Infectious Diseases Office of Cyber Infrastructure and Computational Biology Bioinformatics 14 OSG Connect https://osg-htc.org/iid/451cgt72wj62 26.1103 1944987294 AFIDSI The UW–Madison Data Science Institute, powered by American Family Insurance, is committed to advancing discovery that benefits society through cutting-edge research and cross-disciplinary collaboration. We partner with researchers, industry, and communities to solve problems and deliver products that create value for science, business, and society. We work at the cutting edge of technology such as AI and machine learning, spurring fundamental advancements and their applications in fields including agriculture, medicine, engineering, insurance and risk management, and environmental sustainability. Kyle Cranmer University of Wisconsin–Madison Data Science Institute Computer and Information Science and Engineering https://osg-htc.org/iid/fq8thqsj99zh 30.7001 55 AMFORA Amfora is a POSIX-compatible parallel scripting framework that lets users run existing programs in parallel with data stored in RAM on distributed platforms: e.g. clouds, clusters, supercomputers. Ian Foster University of Chicago Computer Science Computer and Information Science and Engineering 14 OSG Connect https://osg-htc.org/iid/o14joi278jrs 11 686 AMNH.astro Department of Astronomy at the American Museum of Natural History Mordecai-Mark Mac Low American Museum of Natural History Astronomy Astronomy 14 OSG Connect https://osg-htc.org/iid/em2w05s9c1uc 40.0201 534 AMNH American Museum of Natural History Michael Benedetto American Museum of Natural History N/A Multi-Science Community 14 OSG Connect https://osg-htc.org/iid/em2w05s9c1uc 54.0101 829 AMNH_Burbrink This work explores systematics of snakes using genomic and ecological data. Frank Burbrink American Museum of Natural History Herpetology Biological Sciences 14 OSG Connect https://osg-htc.org/iid/em2w05s9c1uc 26 1492104782 AMNH_Calamari The evolution of complex anatomical structures using genomics, morphology, and phylogenetic comparative methods. He has studied a broad diversity of mammals, from bank voles to mammoths and mastodons; a major focus of the lab is the horns, antlers, and other bony appendages of even-toed ruminants (Artiodactyla). Zachary Calamari American Museum of Natural History Natural Sciences Evolutionary Biology https://osg-htc.org/iid/em2w05s9c1uc 26.1310 473525047 AMNH_MacLow Use an N-body code with analytic approximations to gas torques to model the formation of the hypothesized massive objects Mordecai-Mark Mac Low American Museum of Natural History Astrophysics Astronomy & Astrophysics 14 OSG Connect https://osg-htc.org/iid/em2w05s9c1uc 40.0201 453459059 AMNH_Raxworthy Study the origins of herpatological groups predominantly in Madagascar. Christopher Raxworthy American Museum of Natural History Herpatology Evolutionary Biology https://osg-htc.org/iid/em2w05s9c1uc 26.1399 583 AMNH_Smith Integrative Models of Avian Speciation Brian Smith American Museum of Natural History Ornithology Biological and Biomedical Sciences 14 OSG Connect https://osg-htc.org/iid/em2w05s9c1uc 26 320 AMS Monte Carlo simulation for the AMS experiment Baosong Shan Massachusetts Institute of Technology LNS Particle Physics 30 OSG https://osg-htc.org/iid/jtlq7k0qkxtn 40.0804 153 ASPU developing genetic association tests using GWAS data ilyoup kwak University of Minnesota Division of Biostatistics Bioinformatics 14 OSG Connect https://osg-htc.org/iid/3chofmlz7p5r 26.1103 535 ASU-CFD ASU Fluid Dynamics Bruno D. Welfert Arizona State University School of Mathematics and Statistical Sciences Fluid Dynamics 14 OSG Connect https://osg-htc.org/iid/er1rnzey26m9 27 2104358006 ASU_CoMSESNet Improving the way researchers, educators and professionals develop, share, use, and re-use computational models in the social and ecological sciences Michael Barton Arizona State University Center for Behavior, Institutions, and the Environment Complex Adaptive Systems 14 OSG Connect https://osg-htc.org/iid/er1rnzey26m9 11.0804 675 ASU_EvolutionMedicineIT Project for Center for Evolution and Medicine IT staff Kenneth Buetow Arizona State University Center for Evolution and Medicine Biological Sciences 14 OSG Connect https://osg-htc.org/iid/er1rnzey26m9 26 731 ASU_Jacobs Simulations of radio interferometers Daniel Jacobs Arizona State University School of Earth and Space Exploration Astronomy 14 OSG Connect https://osg-htc.org/iid/er1rnzey26m9 40.02 802 ASU_Ozkan In this research, we are trying to study and calculate the binding free energy of protein complexes with large peptides. The strategy is to apply constant velocity pulling on peptides based on NAMD simulations and statistically calculate the binding free energy by applying Jarzynskis equality. Banu Ozkan Arizona State University Physics Physics 14 OSG Connect https://osg-htc.org/iid/er1rnzey26m9 40.08 625 ASU_Pfeifer Computational Genomics and Evolution Susanne Pfeifer Arizona State University School of Life Sciences Life Sciences - Biological and Biomedical 14 OSG Connect https://osg-htc.org/iid/er1rnzey26m9 26.1399 330475465 ASU_RCStaff Group for ASU research computing staff Douglas M. Jennewein Arizona State University Research Computing Research Computing 14 OSG Connect https://osg-htc.org/iid/er1rnzey26m9 11.9999 629 ASU_Singharoy Computational Immunology Abhishek Singharoy Arizona State University School of Molecular Sciences Biological and Biomedical Sciences 14 OSG Connect https://osg-htc.org/iid/er1rnzey26m9 26 853879314 ASU_Zhuang Running molecular dynamics simulations based on density functional theory and collect the data of trajectories to training an AI model for larger scale molecular simulations to accelerate discovery of materials. Houlong Zhuang Arizona State University School for Engineering of Matter, Transport and Energy Materials Science https://osg-htc.org/iid/er1rnzey26m9 14.1801b 385 AdHocComm We are evaluating heuristic approaches from active learning for communicating partial policy information in ad hoc teamwork scenarios. Trevor Santarra University of California, Santa Cruz Computer Science Computer and Information Science and Engineering 14 OSG Connect https://osg-htc.org/iid/n6cai04882ca 11 340 AfricanSchool A project for teaching the grid computing component of the African School of Physics. Rob Quick Indiana University UITS Education 14 OSG Connect https://osg-htc.org/iid/uws6kivcttuc 13 76 AlGDock Binding Potential of Mean Force Calculations with Alchemical Interaction Grids Standard binding free energies are frequently sought in drug design. According to implicit ligand theory, standard binding free energies can be determined from binding potential of mean force (PMF) calculations from different receptor structures. Binding PMFs are a special type of binding free energy in which the receptor is rigid. The purpose of this project is to develop methods for estimating binding PMFs. David Minh Illinois Institute of Technology Chemistry Chemistry 14 OSG Connect https://osg-htc.org/iid/3jn3w1ccwxwd 40.05 2050042360 Albany_DAES Department of Atmospheric and Environmental Sciences at the University of Albany. Ryan Torn University of Albany Department of Atmospheric Environmental Sciences Atmospheric Sciences 14 OSG Connect https://osg-htc.org/iid/m9adt6gcsr8c 40.04 1231382541 AllenISD_Cheon High school science fair project Jimin Cheon Allen Independent School District Biology Computer and Information Sciences 14 OSG Connect https://osg-htc.org/iid/viwzcsq6tepm 11 309 AmorphousOrder Glass-forming liquids exhibit dramatical slowdown upon cooling, which may be controlled by the growing amorphous order that emerges due to the rarefaction of metastable states in the rugged free-energy landscape. The amorphous order is well captured by point-to-set correlations, and their measurements are indispensable in testing ideas surrounding this new order parameter. To attain good statistics on point-to-set observables, however, requires a huge number of independent simulations. Exploration of many parameter ranges -- such as temperature or confinement parameters -- further increases the need for parallel computing. The high throughout computing thus provides an ideal tool for investigating the notion of the growing amorphous order in glassy systems. Patrick Charbonneau Duke University Chemistry Chemistry 14 OSG Connect https://osg-htc.org/iid/v0pbd5jfz81s 40.05 301 AnimalSocialNetworks Project Name: Animal Social Networks Short Project Name: AnimalSocialNetworks Field of Science: Ecology Field of Science (if Other): PI Name: Erol Akcay PI Email: eakcay@sas.upenn.edu PI Organization: University of Pennsylvania PI Department: Biology Join Date: Nov 30th 2015 Sponsor: OSG Connect OSG Sponsor Contact: Bala Project Contact: Amiyaal Ilany Project Contact Email: amiyaal@sas.upenn.edu Telephone Number: Project Description: Modeling the formation and dynamics of animal social networks, and how these dynamics affect phenomena at the individual and population levels Erol Akcay University of Pennsylvania Biology Biological Sciences 14 OSG Connect https://osg-htc.org/iid/nv2rjrft01gg 26 621 Arcadia_Curotto Computational chemistry of hydrogen-nanoparticle interactions and n-alkane conformer transitions Emanuele Curotto Arcadia University Chemistry Chemistry 14 OSG Connect https://osg-htc.org/iid/c6ehbi2dyh8h 40.0501 501 Argoneut Project entry corresponding to the Argoneut VO. Lisa Goodenough Fermilab N/A High Energy Physics 9 Fermilab https://osg-htc.org/iid/ik4s3ql8u1j7 40.08 1243866024 Arizona_Chan_Steward Scalable astronomical data analytics for the Department of Astronomy and Steward Observatory at the University of Arizona Chi-kwan Chan University of Arizona Department of Astronomy and Steward Observatory Physics https://osg-htc.org/iid/7rjyoz6kb8vq 40.08 918295548 Arizona_Condon The research focuses on integrating machine learning tools to increase the resolution of hydrological model outputs in hydrologically consistent ways, and on building an emulator to accelerate the solution of hydrologic models while maintaining physical accuracy. Laura Condon University of Arizona Department of Hydrology and Atmospheric Sciences Geological and Earth Sciences https://osg-htc.org/iid/7rjyoz6kb8vq 14.0805 34400913 Arizona_DataScienceInstitute Helps researchers and graduate students, to learn Data Science Tools over a wide available computational resources in order to enhance their research capabilities. Nirav Merchant University of Arizona Data Science Institute Data Science 14 OSG Connect https://osg-htc.org/iid/7rjyoz6kb8vq 30.7001 785 Arizona_Males Data Analysis for Exoplanet Direct Imaging Jared Males University of Arizona Department of Astronomy and Steward Observatory Astronomy 14 OSG Connect https://osg-htc.org/iid/7rjyoz6kb8vq 40.02 648 Arizona_Paschalidis Systematic Testing of Neutron Star Universal Relations Vasileios Paschalidis University of Arizona Physics Physics 14 OSG Connect https://osg-htc.org/iid/7rjyoz6kb8vq 40.08 293707534 Arizona_ResearchTechnologies Research Computing within Information Technology Services (ITS) at the University of Arizona: University Information Technology Services offers several research computing services co-funded by the Office of Research, Innovation & Impact (RII) and available to all members of the UA campus community. These include high performance computing and storage available at no charge in the Research Data Center and server housing space available in the Research Colocation Data Center. In addition, free software, tools, and consulting are available for research computing, data visualization, and statistics. These services are overseen by the Research Computing Governance Committee. Chris Reidy University of Arizona ITS Computer and Information Services https://osg-htc.org/iid/7rjyoz6kb8vq 11.9999 1471299275 Arkansas_HPCStaff To train and develop teaching and research OSG users in Arkansas and to begin contributing to OSG from the forthcoming CC* compute system. We anticipate that significant users will create their own project David Chaffin University of Arkansas at Little Rock University of Arkansas HPCC Computer and Information Services https://osg-htc.org/iid/39lbghshs28k 11.0101 2090385607 Arkansas_Nelson Statistical analysis on keys generated by a lattice based cryptography algorithm for post-quantum cryptography to determine patterns in the types of errors produced in the keys. Alexander Nelson University of Arkansas Computer Science & Computer Engineering Computer Science 14 OSG Connect https://osg-htc.org/iid/78b3lgmajszi 11.07 581956816 Arkansas_UITSStaff Research computing staff at University of Arkansas https://directory.uark.edu/departmental/uits/university-information-technology-serv Don DuRousseau University of Arkansas Information Technology Research Computing 14 OSG Connect https://osg-htc.org/iid/78b3lgmajszi 11 17 AtlasConnect To support ATLAS Tier 3 flocking into Tier 1 and Tier 2 centers and to support an OSG Connect-like service dedicated to the US ATLAS Collaboration. The ATLAS detector studies physics at the energy frontier at the Large Hadron Collider in Geneva, Switzerland. Robert William Gardner Jr University of Chicago Computation and Enrico Fermi Institutes High Energy Physics 14 OSG Connect https://osg-htc.org/iid/o14joi278jrs 40.08 896812233 Auburn_Hauck Experimental infections with avian reovirus and co-infections with other micro-organisms. We analyze bioinformatic data pertaining to microbiome, gene expression, metagenome and transcriptome obtained from these experiments. Ruediger Hauck Auburn University Pathobiology Agricultural Sciences specifically Poultry Science 14 OSG Connect https://osg-htc.org/iid/q6cff6xb6a0h 01 996902537 BAERI_Bejaoui Studying the photofragmentation of molecules excited with high energy photons Salma Bejaoui Bay Area Environmental Research Institute Bay Area Environmental Research Institute Astronomy & Astrophysics 14 OSG Connect https://osg-htc.org/iid/za7yf0nds92q 40.02 981111279 BCBB_NIAID Group for staff/members of the Bioinformatics and Computational Biosciences Branch (BCBB) at NIAID/NIH. Darrell Hurt National Institute of Allergy and Infectious Diseases Office of Cyber Infrastructure and Computational Biology Bioinformatics 14 OSG Connect https://osg-htc.org/iid/451cgt72wj62 26.1103 609 BCH_Holt Molecular Evolution and Phylogenetics Jeffrey Holt Boston Children's Hospital Biological and Biomedical Sciences 14 OSG Connect https://osg-htc.org/iid/4lvq3daxyc55 26 559 BCH_ResearchComputing Facilitation of Boston Children's Hospital Researchers on OSG Connect Arash Nemati Hayati Boston Children's Hospital Medical Sciences 14 OSG Connect https://osg-htc.org/iid/4lvq3daxyc55 26 830 BC_Grubb This project studies the implementation of a public policy that restricts gender-based pricing in the Chilean private health insurance system. For that matter, I will estimate how enrollees choose plans and how sensitive they are to prices in this market using a discrete choice demand model. With these estimates in hand, I will simulate how people choose plans once prices are restricted to be the same between men and women, and how the structure of the market, in terms of costs, changes after the implementation of the policy. Michael Grubb Boston College Economics Economics 14 OSG Connect https://osg-htc.org/iid/lpknq8oygi06 5.0212 633 BC_Savage IT and Research Computing at Boston College Brian Savage Boston College Information Technology Services Computer Science 14 OSG Connect https://osg-htc.org/iid/lpknq8oygi06 11.07 175 BGAgenomics This is a cyanobacteria genomics program Sucheta Tripathy Indian Institute of Chemical Biology Structural Biology and Bioinformatics division Bioinformatics 14 OSG Connect https://osg-htc.org/iid/6ycithqdf09t 26.1103 2079648751 BMI_Craven https://www.biostat.wisc.edu/~craven/ Mark Craven University of Wisconsin–Madison Biostatistics & Medical Informatics Health https://osg-htc.org/iid/fq8thqsj99zh 26.1104 1613372267 BMI_Gitter https://www.biostat.wisc.edu/~gitter/ Anthony Gitter University of Wisconsin–Madison Biostatistics & Medical Informatics Health https://osg-htc.org/iid/fq8thqsj99zh 26.1104 842770507 BMI_Hu https://junjiehu.github.io/ Junjie Hu University of Wisconsin–Madison Biostatistics & Medical Informatics Health https://osg-htc.org/iid/fq8thqsj99zh 11.0701 2137380985 BMI_Tang development and application of statistical methods and computational tools for high-dimensional “omics” data, arising from modern high-throughput technologies. Zhengzheng Tang University of Wisconsin–Madison Biostatistics & Medical Informatics Health https://osg-htc.org/iid/fq8thqsj99zh 26.1104 127 BNL-PHENIX Running HEP/NP Monte Carlo simulations for the collaboration of the PHENIX detector at Relativistic Heavy Ion Collider (RHIC) at BNL. Matthew Snowball Brookhaven National Laboratory Physics Department Nuclear Physics 30 OSG https://osg-htc.org/iid/g29k1hhqys0y 40.0806 11 BNLPET Positron Emission Tomography (PET) at BNL: Develop the efficient and easily parallelizable 3D image reconstruction algorithms for Positron Emission Tomography detectors developed by the BNL PET group. Use OSG XSEDE resources for reconstructing the images obtained by the group while doing a biomedical and biochemistry research. http://www.bnl.gov/pet/ . Martin Purschke Brookhaven National Laboratory Physics Department Medical Sciences 30 OSG https://osg-htc.org/iid/g29k1hhqys0y 26 1541289377 BNL_Klimentov Reference study for building the future EIC project, link: https://www.bnl.gov/eic/ Alexei Klimentov Brookhaven National Laboratory Scientific Computing and Data Facilities Computer and Information Services https://osg-htc.org/iid/g29k1hhqys0y 11.9999 720 BNL_Schenke High energy nuclear collision simulations for RHIC, LHC, and EIC Bjoern Schenke Brookhaven National Laboratory Physics Physics 14 OSG Connect https://osg-htc.org/iid/g29k1hhqys0y 40.08 754032593 BNL_Venugopalan We investigate the dynamics of strongly interacting field theories through a variety of numerical methods, ranging from classical lattice simulations to tensor network projects. Raju Venugopalan Brookhaven National Laboratory Physics Physics https://osg-htc.org/iid/g29k1hhqys0y 40.08 446 BRDMS This project is about simulation validation of a continuous data binning algorithm. XUETONG ZHAI University of Pittsburgh Bioengineering Biological Sciences 14 OSG Connect https://osg-htc.org/iid/2ayx10b74xua 26 825 BU_Mu2e Mu2e is a muon-to-electron-conversion particle physics experiment at Fermilab Jim Miller Boston University Physics Physics 14 OSG Connect https://osg-htc.org/iid/drujeuinri1g 40.08 99280644 BYUI_Becerril Training undergraduate students in scientific computing through teaching elective courses Héctor A. Becerril Brigham Young University Idaho Chemistry Department Chemistry 14 OSG Connect https://osg-htc.org/iid/vgfpbpee9lqo 40.05 1446028604 Bacteriology_Kacar Our research focuses on reconstructing molecular time machines to explore and attempt to rebuild lost histories. We use tools drawn from synthetic biology, molecular biology and evolutionary biology to tackle challenging questions in life sciences that will allow us to understand life’s fundamental innovations. We hope to reveal underlying molecular mechanisms that are directly and indirectly responsible for maintaining conditions of habitability on our planet’s surface. Betul Kacar University of Wisconsin–Madison Bacteriology Cellular Biology https://osg-htc.org/iid/fq8thqsj99zh 26.0406 322 BakerLab Protein folding David Baker University of Washington Molecular Engineering and Sciences Molecular and Structural Biosciences 30 OSG https://osg-htc.org/iid/8lpmoeouw66o 26 726 BaylorCM_Hirschi Running mRNA processing pipeline Kendal Hirschi Baylor College of Medicine Molecular and Human Genetics Biological Sciences 14 OSG Connect https://osg-htc.org/iid/gk0vqx4uormq 26 341031516 Baylor_Shuford Design and discovery of novel 2-D materials for catalysis, energy storage, and spintronics applications. Kevin Shuford Baylor University Chemistry and Biochemistry Chemistry https://osg-htc.org/iid/c8uhtb8bojit 40.1002 449 BetaDecay Neutrinoless Double Beta Decay Liang Yang University of Illinois Urbana-Champaign Physics Physics 14 OSG Connect https://osg-htc.org/iid/10izzs5e7v1r 40.08 414 BioAlgorithms Algorithmic development for Bioinformatics Natasha Pavlovikj University of Nebraska\u2013Lincoln Computer Science Bioinformatics 67 HCC https://osg-htc.org/iid/q9k1b8dfrw25 26.1103 167 BioGraph Constructing gene interaction graphs at high scale Alex Feltus Clemson University Genetics & Biochemistry Biological Sciences 14 OSG Connect https://osg-htc.org/iid/ricyf18amt49 26.1103 103 BioMolMach The molecular machines associated with biological membranes are particularly remarkable. Membrane-associated proteins play an essential role in controlling the bidirectional flow of material and information, and as such, they are truly devices able to accomplish complex tasks. These include ion channels, transporters, pumps, receptors, kinases, and phosphatases. These proteins, like any machine, need to change shape and visit many conformational states to perform their function. Our project is aimed at gaining a deep mechanistic perspective of such protein function, linking structure to dynamics, by characterizing the free energy landscape that governs the key functional motions. Benoit Roux University of Chicago Biology Molecular and Structural Biosciences 14 OSG Connect https://osg-htc.org/iid/o14joi278jrs 26 28 BioStat Bioinformatics and biostatistics for genetic risk factors at the Duke Medical Center. Janice McCarthy Duke University Medical Center Bioinformatics 14 OSG Connect https://osg-htc.org/iid/v0pbd5jfz81s 26.1103 1115649394 BiochemSenes https://seneslab.biochem.wisc.edu/ Alessandro Senes University of Wisconsin–Madison Biochemistry Biological Sciences https://osg-htc.org/iid/fq8thqsj99zh 26.0299 84730384 Biochemistry_Romero https://biochem.wisc.edu/people/romero/ Philip Romero University of Wisconsin–Madison Biochemistry Biological Sciences https://osg-htc.org/iid/fq8thqsj99zh 26.0299 432 Bioconductor Bioconductor provides tools for the analysis and comprehension of high-throughput genomic data. Martin Morgan Roswell Park Cancer Institute Biostatistics and Bioinformatics Bioinformatics 14 OSG Connect https://osg-htc.org/iid/gse6n0vl8u5c 26.1103 461 BiomedInfo Development and application of software tools for performing large-scale biomedical informatics on microbial genome sequence data. Erik Wright University of Pittsburgh Bioinformatics Bioinformatics 14 OSG Connect https://osg-htc.org/iid/2ayx10b74xua 26.1103 428 Biomim The project involves studies of substrate binding, electron and proton transport pathways and substrate release in enzymes that can catalyze the synthesis of fuels in photoelectrochemical cells. The insights obtained will guide the design of small molecule electrocatalysts in collaboration with experimentalists. Puja Goyal State University of New York at Binghamton Chemistry Chemistry 14 OSG Connect https://osg-htc.org/iid/53bzboawpaq9 40.05 532 BiostatsChapple Bayesian Clinical Trials Andrew Chapple LSU School of Public Health Biostatistics Statistics 14 OSG Connect https://osg-htc.org/iid/9idmt4uz33c1 27.05 930667780 Bishops_Zhao Analyzing the higher order Cauchy numbers, computing variant multiple zeta values, and finding the largest circles enclosing exactly n lattice points. Jay (Jianqiang) Zhao The Bishop's School Mathematics Mathematics https://osg-htc.org/iid/u4p40su7wleo 27.0101 1635310641 BrighamAndWomens_Baratono Studying how atrophy and connectivity to atrophy impacts cognitive and psychological outcomes in patients with a variety of neurodegenerative disorders Sheena R Baratono Brigham and Women's Hospital Neurology Biological and Biomedical Sciences https://osg-htc.org/iid/amkjjwp5fsro 26.1504 1962465368 BrynMawr_Chu n my group, we study complex social and biological systems. We primarily use tools from stochastic processes and differential equations and employ analytical and computational techniques that are often complemented by real-world data. Here is a link to my webpage: https://www.brynmawr.edu/inside/people/olivia-j-chu Olivia Chu Bryn Mawr College Department of Mathematics Mathematics https://osg-htc.org/iid/wrdwsan7bxsn 27.0503 2082449379 BrynMawr_Pivirotto In my role as a data science instructional support coordinator, I design and lead workshops, develop hands-on tutorials, and offer office hours for faculty, staff, and students engaged in computational and data intensive work. I support skill-building across a range of tools and languages - such as Python, R, Git, and Jupyter - and help users navigate research workflows involving data analysis, visualization, and reproducibility. I also consult on project planning, infrastructure needs, and integrating ethical and equitable practices into data-driven research. Alyssa Pivirotto Bryn Mawr College Library and Information Technology Services (LITS) Computer and Information Services https://osg-htc.org/iid/wrdwsan7bxsn 30.7001 695 Bucknell_IT Group for Bucknell Research IT staff to test-drive OSG job submissions Jeremy Dreese Bucknell University Engineering Computer Sciences 14 OSG Connect https://osg-htc.org/iid/wmnibk6189rx 11.0701a 1500090048 CAIDA_Mok The project is about building a tutorial to facilitate CAIDA's data consumers to analyze traffic data collected by UCSD Network Telescope hosted on the OSDF. This project is a part of our NSF project (https://www.caida.org/funding/cici-canis) Ricky Mok University of California, San Diego CAIDA Computer and Information Services https://osg-htc.org/iid/06wup3aye2t7 11.1003 1291608831 CEE_Wright Our research team works in a number of research areas with the field of computational hydrometeorology and hydroclimatology: * Measurement, modeling, and analysis of extreme rainfall at high resolution using a variety of sources including rain gages, ground-based weather radar, satellite-based sensors, and numerical weather and climate models. * Understanding the roles of rainfall and land surface process variability and interactions to produce floods at a wide range of scales using high-resolution multi-scale supercomputer-based watershed models. * Interfacing with meteorologists and climate scientists to translate projected changes in extreme precipitation from regional and global climate models into projections of future risks. * Developing practical tools for improved probabilistic rainfall and flood hazard and risk estimation. Daniel Wright University of Wisconsin–Madison Civil and Environmental Engineering Atmospheric Sciences https://osg-htc.org/iid/fq8thqsj99zh 40.0605 299 CGS Project Name: grian growth simulation Short Project Name: GGS Field of Science: Materials Science Field of Science (if Other): PI Name: Panthea Sepehrband PI Email: psepehrband@scu.edu PI Organization: Santa Clara Univeristy PI Department: Mechanical Engineering Join Date: Sponsor: OSG Sponsor Contact: Project Contact: Panthea Sepehrband Project Contact Email: psepehrband@scu.edu Telephone Number: 4088338665 Project Description: Simulation of grain growth using the LAMMPS package. Panthea Sepehrband Santa Clara University Mechanical Engineering Materials Science 14 OSG Connect https://osg-htc.org/iid/2vxlc7g64qpj 40.1001 758 CHTC-Staff Group for CHTC staff who have OSG accounts Miron Livny University of Wisconsin–Madison Computer Sciences Computer Sciences 14 OSG Connect Other CHTC-ITB-submittest0000 CHTC-ITB glow XRAC CHTC-XD-SUBMIT UChicago_OSGConnect_login04 UChicago_OSGConnect_login05 TACC-Stampede2 TG-DDM160003 https://osg-htc.org/iid/fq8thqsj99zh 11.0701a 157033406 CHTC http://chtc.cs.wisc.edu/ Miron Livny University of Wisconsin–Madison CHTC Computer Sciences https://osg-htc.org/iid/fq8thqsj99zh 30.3001 158 CHomP Our group studies dynamical systems using methods from computational topology. A current focus is the study of gene regulatory networks via switching system models and the computation of Conley-Morse databases. Konstantin Mischaikow Rutgers, The State University of New Jersey Mathematics Mathematical Sciences 14 OSG Connect https://osg-htc.org/iid/qrem5k97ikiv 27 582 CLAS12 Jefferson Laboratory Hall-B CLAS12 project Maurizio Ungaro Jefferson Lab Physics Nuclear Physics 99 JLab https://osg-htc.org/iid/hlz41oydapzn 40.0806 388815060 CMB_Petravick The CMB-S4 project is prototyping processing and data flow on the FABRIC testbed https://portal.fabric-testbed.net/. We are studying the use of HTCondor on FABRIC VM nodes in scenarios where data would arrive over high speed networks. Donald Petravick University of Illinois Urbana-Champaign National Center for Supercomputing Applications (NCSA) Astronomy 14 OSG Connect https://osg-htc.org/iid/10izzs5e7v1r 40.0202 2089895362 CMU_Isayev Quantum chemical and machine learning insights into supra-molecular organization of molecular crystals. Olexandr Isayev Carnegie-Mellon University Chemistry Chemistry https://osg-htc.org/iid/3cqqrc2cgibl 40.0511 818249353 CMU_Romagnoli Deep Reinforcement Learning (RL) for Secure Control of UAVs via Software Rejuvenation Raffaele Romagnoli Carnegie-Mellon University Electrical and computer engineering Electrical Engineering 14 OSG Connect https://osg-htc.org/iid/3cqqrc2cgibl 14 1747622594 CMU_Spotte-Smith My research (https://CoReACTER.org) broadly involves computational and data science studies of complex reactive systems. In the short-term, I intend to use the OSPool to generate training data for machine learned interatomic potentials (specifically, performing high-throughput DFT calculations of materials interfaces) and to perform high-throughput molecular dynamics simulations of solid-state reactivity. These efforts relate to a current project funded by Toyota Research Institute through their Synthesis Advanced Research Challenge. Evan Spotte-Smith Carnegie Mellon University Department of Chemical Engineering Chemical Engineering https://osg-htc.org/iid/3cqqrc2cgibl 14.0701 488553531 CMU_Viswanathan Physics-informed machine learning algorithms to facilitate improved prediction of battery performance Venkat Viswanathan Carnegie-Mellon University Department of Mechanical Engineering Mechanical Engineering 14 OSG Connect https://osg-htc.org/iid/3cqqrc2cgibl 14.19 930981374 CNU_Henry Research related to biomedical and clinical natural language processing, including information retrieval, information extraction, summarization, and question answering. Samuel Henry Christopher Newport University Department of Physics, Computer Science, and Engineering Computer and Information Sciences https://osg-htc.org/iid/a1hm0ndtf1zj 30.7099b 661 COVID19_FoldingAtHome Folding at Home for COVID-19, on the Open Science Grid https://foldingathome.org/covid19/ Greg Bowman Folding@Home Consortium (FAHC) Biochemistry Biochemistry 14 OSG Connect https://osg-htc.org/iid/nv2rjrft01gg 26.0202 687 COVID19_Harvard_Bitran Designing Inhibitors of SARS-CoV 2 Spike Protein Folding The receptor binding domain (RBD) of the SARS-CoV 2 Spike (S) protein plays a crucial role in enabling the virus to enter host cells, and represents a promising target for antiviral drugs. A common therapeutic strategy involves deploying small molecules to inhibit the protein-protein interaction (PPI) between the RBD and the human angiotensin-converting enzyme 2 (ACE2) to which it binds. But unfortunately, it is difficult to inhibit such PPIs using small molecules due to the large interaction surface area involved. To overcome this difficulty, we propose to develop a novel antiviral strategy whereby small molecules will be used to specifically bind and stabilize intermediates in the RBD folding pathway, thus inhibiting the domain’s folding and promoting the S protein’s degradation. Using folding simulations, we plan to map the RBD’s folding pathway in atomistic detail and identify long-lived intermediates with well-defined binding pockets. We will then identify existing, as well as newly-designed small molecules that bind these cavities with high affinity, but do not bind the native state. The resulting hits will then be experimentally screened for their ability to inhibit RBD folding and their antiviral activity. If successful, this approach will yield a novel therapeutic strategy against SARS-CoV 2 that overcomes difficulties associated with most RBD inhibitors. Furthermore, we expect it will be difficult for SARS-CoV 2 to acquire resistance to these folding inhibitors, owing to severe fitness costs associated with mutating residues that are surface-exposed in folding intermediates. Amir Bitran Harvard University Chemistry and Chemical Biology Chemistry 14 OSG Connect https://osg-htc.org/iid/n1kbnzl7kyiv 40.05 659 COVID19_Illinois_Gammie The goal of this project is to predict and assess the effect of epidemic intervention strategies for the State of Illinois. Our effort includes a group of covid-19 modelers at the University of Illinois at Urbana-Champaign that includes faculty members Charles Gammie, Nigel Goldenfeld, and Sergei Maslin and graduate students George Wong and Zach Weiner. We are one of the groups providing advice to the office of Governor Pritzker and to our local public health district. Charles Gammie University of Illinois Urbana-Champaign Physics Health 14 OSG Connect https://osg-htc.org/iid/10izzs5e7v1r 51 743 COVID19_JHU_Howard One of the biggest challenges facing the US healthcare system in caring for patients with COVID-19 is the limited number of ICU beds and ventilators available, in addition to concerns regarding staffing levels. Hospital cooperation can allow for patient transfers increasing the efficiency of the overall system and the number of patients who can receive treatment. We use data from COVID-19 in Maryland to formulate a mathematical model which can determine which hospitals are the best candidates for the patient transfer, accounting for the current and expected resource usage in all hospitals. The advantages of the mathematical model are demonstrated with simulation of the spread of COVID-19 in Maryland. James P. Howard, II Johns Hopkins University Mathematics Mathematical Sciences 14 OSG Connect https://osg-htc.org/iid/3fml5tx2uhe0 27 671 COVID19_LSUHSC_Chapple Most Bayesian methods require Markov Chain Monte Carlo sampling (MCMC) to obtain posterior distributions, which can be used for statistical inference - and decision making during adaptive clinical trial designs. To justify any novel statistical method or adaptive design, extensive simulation studies must be conducted to demonstrate their effectiveness. Dr. Chapple recently used OSG to successfully revise a novel statistical method for survival analysis relevant to COVID-19. Such simulations, particularly for Bayesian adaptive clinical trials, can take a tremendous amount of time to run 1,000 or more simulations for a given scenario, and usually hundreds of scenarios are warranted to convince others of the trial’s benefit. Dr. Chapple has used 435 thousand core hours to develop clinical trial designs for testing safety of new agents in pediatric brain tumors, testing multiple COVID-19 therapies simultaneously, and determining optimal treatments based on patient subgroups. Without OSG, it would not have been possible to start enrolling patients in a 3-treatment armed COVID-19 trial at University Medical Center in New Orleans, LA. Based upon that success, Chapple will also demonstrate the same approach for 5 treatment arms, and also for subgroups (based on comorbidities, age, etc), and publish the trial design in a statistical journal. Andrew Chapple LSU School of Public Health Biostatistics Health 14 OSG Connect https://osg-htc.org/iid/9idmt4uz33c1 51 677 COVID19_RepertoireTCell Predicting Long-Term T Cell Responses to SARS-CoV-2 via Molecular Modeling and Machine Learning https://covid19-hpc-consortium.org/projects/5ebf07523e6ec40081202fac The dynamics of COVID-19 infection remain poorly understood, and it is unknown whether patients acquire prolonged immunity to the virus following initial infection. Most current vaccine efforts mainly promote B cell production of neutralizing antibodies. While often critical for virus neutralization and disease control, research from the 2002-2003 SARS-CoV epidemic suggests that B cells and serum antibodies involved in the initial immune response are likely to be short-lived. However, many patients with undetectable antibody levels retained immune protection by virtue of long-lived T cells, and correlation of T cell recovery with convalescence in COVID-19 strongly suggests that T cells are critical for virus control. By computationally simulating hundreds of thousands of interactions between T cells and COVID-19-infected cells, we aim to characterize the biochemical features of T cells responsible for long-term COVID-19 immunity and identify a small number of viral molecules that have the highest likelihood of inducing long-term immunity when delivered through vaccines. Michael Noble Repertoire Immune Medicines Computational Sciences Biological and Biomedical Sciences 14 OSG Connect https://osg-htc.org/iid/e9m0sui7r154 26 660 COVID19_Stanford_Das RNA tertiary structure of COVID-19 UTRs as therapeutic and vaccine targets: https://daslab.stanford.edu/news Rhiju Das Stanford University Biochemistry Biological and Biomedical Sciences 14 OSG Connect https://osg-htc.org/iid/keucrg5vtwtm 26 669 COVID19_UCSD_Hsiao Develop AI algorithm to diagnose CT scans of pneumonia patients for COVID-19: https://www.kpbs.org/news/2020/apr/07/ucsd-using-ai-identify-pneumonia-coronavirus/ Albert Hsiao University of California, San Diego Radiology Radiological Science 14 OSG Connect https://osg-htc.org/iid/06wup3aye2t7 51 662 COVID19_UNL_Weitzel Testing of Folding at Home on the Open Science Grid, for COVID-19; https://foldingathome.org/covid19/ Derek Weitzel University of Nebraska\u2013Lincoln Computer Science and Engineering Computer Science 14 OSG Connect https://osg-htc.org/iid/q9k1b8dfrw25 11.07 660 COVID19_WeNMR COVID-19 research through the WeNMR portal, HADDOCK (https://www.eosc-hub.eu/news/haddock-support-covid-19-research) WeNMR is a Virtual Research Community supported by EGI. WeNMR aims at bringing together complementary research teams in the structural biology and life science area into a virtual research community at a worldwide level and provide them with a platform integrating and streamlining the computational approaches necessary for data analysis and modelling. Alexandre Bonvin Utrecht University N/A Biological Sciences 73 ENMR https://osg-htc.org/iid/e333zusaa3hr 26 650362098 CPSC_5520 Teaching a distributed systems course. Assignments will be at-scale applications including a parallel video rendering pipeline, a genome analysis application, and a text analysis workflow Nate Kremer-Herman Seattle University Computer Science Computer and Information Science https://osg-htc.org/iid/nn54csg34gty 11.0701b 1321266094 CSM_BeEST The Beryllium Electron capture in Superconducting Tunnel junctions Experiment (BEeST) employs the decay–momentum reconstruction technique to precisely measure the 7Be 7Li recoil energy spectrum in superconducting tunnel junctions (STJs). This approach is a powerful, model-independent method in the search for beyond SM scenarios since it relies only on the existence of a heavy neutrino admixture to the active neutrinos. Kyle Leach Colorado School of Mines Physics Physics 14 OSG Connect https://osg-htc.org/iid/2gwyao3kqhpn 40.08 841996560 CSUN_Jiang Wildfire Prediction for California using various remote sensing data from the past decades. This is a computation intensive research project that involves applying machine learning models for data analysis and prediction, and also computation-intensive work for data visualization. This project will involve collaborations from both internal and external students at California State University, Northridge. Xunfei Jiang California State University, Northridge Computer Science Computer and Information Sciences https://osg-htc.org/iid/vfjpi4twqspj 11 863451074 CSUN_Katz Large scale searches for binary sequences with identical autocorrelation spectra (https://arxiv.org/abs/2308.07467). Daniel Katz California State University, Northridge Department of Mathematics Mathematics https://osg-htc.org/iid/vfjpi4twqspj 27.0101 799 CSUSB_ITS Group for CSUSB staff supporting research computing. Dung Vu California State University, San Bernadino Information Technology Computer Sciences 14 OSG Connect https://osg-htc.org/iid/wra3vmvyvmgd 11.0701a 649388595 CSUSM_Bader Monolayer krypton desorption from graphite shows anomalously strong mass dependence relative to Graham’s law. We will determine whether coverage-dependent structure, substrate vibrational coupling, or protocol artifacts drive this anomaly, and deliver reliable isotope-selective desorption rates for 1–6 layers. Karson Bader California State University, San Marcos Physics Physics https://osg-htc.org/iid/moudsuun5z21 40.0802 934335439 CSU_Buchanan Modeling of magnetorheological elastomers Kristen Buchanan Colorado State University Physics Physics https://osg-htc.org/iid/2aj5pa9etoc7 40.08 1091405696 CSU_Vogeler Distributed geospatial data access and processing Jody Vogeler Colorado State University Natural Resource Ecology Lab Ecological and Environmental Sciences https://osg-htc.org/iid/2aj5pa9etoc7 03.0101 514238635 CS_752 This project name (originally used for a course) was used in the OSPool for research related to neuromorphic computing, speech processing, and sound source localization. Joshua San Miguel University of Wisconsin–Madison Computer Sciences Computer and Information Science and Engineering https://osg-htc.org/iid/fq8thqsj99zh 11.0101 1237441548 CS_Albargouthi program synthesis and verification. Aws Albarghouthi University of Wisconsin–Madison Computer Sciences Computer Sciences https://osg-htc.org/iid/fq8thqsj99zh 11.0701 1602433314 CS_Gupta The goal of WISION Lab is to develop the next generation of computer vision systems. Our research is in two main areas: Designing novel computational cameras, and developing physics- and learning-based algorithms for scene interpretation. Our work is motivated by applications in robotics, consumer and scientific imaging, and human-computer interfaces. Mohit Gupta University of Wisconsin–Madison Computer Sciences Computer Science https://osg-htc.org/iid/fq8thqsj99zh 11.0701 768792430 CUAnschutz_Graber We build, validate, and implement predictive models of patient recovery after orthopedic surgery. These models support clinicians’ ability to provide personalized care and communicate effectively with their patients. Jeremy Graber University of Colorado Anschutz Medical Campus Department of Physical Medicine and Rehabilitation Physical Therapy https://osg-htc.org/iid/ca3jfb3f8sv3 51.2314 597 CUAnschutz_JuarezColunga Comparison of Random Survival Forests and Joint Modelling for a Time to Event Outcome: a Simulation Study. Elizabeth Juarez Colunga University of Colorado Anschutz Medical Campus Biostatistics and Informatics Biostatistics 14 OSG Connect https://osg-htc.org/iid/ca3jfb3f8sv3 26.1102 757 CUBoulder_Aydin Protein design algorithms Halil Aydin University of Colorado Boulder Biochemistry Biological Sciences 14 OSG Connect https://osg-htc.org/iid/gpeckuwpdnrs 26 962135962 CUBoulder_Garcia Fine tuning an OCR engine. Using the fine-tuned engine to get textual data from scanned documents. Also applying text mining models on the extracted text. Diego Garcia University of Colorado Boulder Department of Finance at Leeds School of Business Finance https://osg-htc.org/iid/gpeckuwpdnrs 52.0801 470073760 CUBoulder_Ladenburger Use quantitative economic models to study effect of exogenous shocks on the macroeconomy Lucas Ladenburger University of Colorado Boulder Economics Economics https://osg-htc.org/iid/gpeckuwpdnrs 45.0601 490116286 CUBoulder_Piper My role is to expose the community of scientists at CSDMS (https://csdms.colorado.edu) to high-throughput computing. I plan to make a series of demonstration cases, run them through OSG, and write up my experiences to highlight how HTC could be useful for research in this community. Mark Piper University of Colorado Boulder INSTAAR Earth Sciences https://osg-htc.org/iid/gpeckuwpdnrs 40.0601b 719 CUNYBrooklyn_Juszczak Mapping molecular level electron density in cation-aromatic pi electron interactions Laura Juszczak CUNY Brooklyn College Chemistry Chemistry 14 OSG Connect https://osg-htc.org/iid/lbg0jt5w2rks 40.05 1055025797 CUNY_Markus This is a simulation study that is comparing 7 different models for ordinal longitudinal data with cross-classified data structure. Keith Markus The Graduate Center, CUNY College of Criminal Justice and Graduate Center Educational Psychology https://osg-htc.org/iid/o336cz96qrh4 42.0101 114339703 Caltech_2024_Reitze The mission of the U.S. National Science Foundation Laser Interferometer Gravitational-wave Observatory is to open the field of gravitational-wave astrophysics through the direct detection of gravitational waves. LIGO is a national facility for gravitational-wave research, providing opportunities for the broader scientific community to participate in detector development, observations and data analysis. LIGO detectors are available for use by members of the LIGO Scientific Collaboration (LSC), comprising researchers in partner institutions around the world. David Reitze California Institute of Technology The Division of Physics, Mathematics and Astronomy Physics and astronomy https://osg-htc.org/iid/m9rrh8ld1wyh 40.1101 1482864894 Caltech_Alicea The project explores state-of-the-art Hartree-Fock simulations of interacting graphene multilayers. Simulation work is part of a joint theory/experiment effort done in collaboration with Stevan Nadj-Perge’s group at Caltech and aims to explain their spectroscopy measurements. Jason Alicea California Institute of Technology Department of Physics Condensed Matter Physics https://osg-htc.org/iid/m9rrh8ld1wyh 40.0808 222780249 Caltech_Bouma Exoplanet and stellar astrophysics research Luke Bouma California Institute of Technology Division of Physics, Mathematics and Astronomy Astrophysics https://osg-htc.org/iid/m9rrh8ld1wyh 40.0202 847 Caltech_Chary Joint Survey Processing (JSP) is aimed at enabling science that requires pixel-level combination of data from the Vera C. Rubin Observatory, The Euclid Space Telescope, and the Nancy Grace Roman Space Telescope. Ranga-Ram Chary California Institute of Technology IPAC Astronomy and Astrophysics 14 OSG Connect https://osg-htc.org/iid/m9rrh8ld1wyh 40.0202 136891900 Caltech_Drummond This project is the computation of gravitational wave fluxes from a binary black hole system with an extreme mass ratio, which will be key sources for future gravitational-wave space detector LISA. In particular, the focus is calculating the contribution of the spin of the smaller black hole to the gravitational waveform. Lisa Drummond California Institute of Technology Division of Physics, Math and Astronomy Astronomy and Astrophysics https://osg-htc.org/iid/m9rrh8ld1wyh 40.1101 478994236 Caltech_Kanner I am interested in learning to use OSG resources for LIGO data analysis. I am especially interested in parameter estimation jobs using bilby or BayesWave. See https://gwosc.org for more information. Jonah Kanner California Institute of Technology LIGO Laboratory Physics 14 OSG Connect https://osg-htc.org/iid/m9rrh8ld1wyh 40.08 598100763 Caltech_Morrell Access to OSDF data resources Tom Morrell California Institute of Technology Library Computer and Information Sciences 14 OSG Connect https://osg-htc.org/iid/m9rrh8ld1wyh 11 639 Caltech_Rusholme Joint Survey Processing (JSP) - Pixel-level combination of data from LSST, Euclid, and WFIRST Benjamin Rusholme California Institute of Technology IPAC Astronomy 14 OSG Connect https://osg-htc.org/iid/m9rrh8ld1wyh 40.02 1486113095 Caltech_Vallisneri The NANOGrav collaboration is a cross-university, cross-discipline collection of astrophysicists, data analysts, and engineers who are currently working to detect a gravitational wave background via Pulsar Timing Arrays (PTAs). Our group's current projects are related to cross-validation and posterior predictive checking methods for parameter estimation and detection analyses for Bayesian PTA studies. Another project is related to increasing computational efficiency of PTA analyses by developing likelihood reweighting methods for PTAs. More information on NANOGrav can be found here: http://nanograv.org/ Michele Vallisneri California Institute of Technology California Institute of Technology Astronomy and Astrophysics https://osg-htc.org/iid/m9rrh8ld1wyh 40.0202 759 CampusWorkshop_Feb2021 accounts for Feb 8 2021 campus workshop Christina Koch University of Wisconsin–Madison Computer Sciences Training 14 OSG Connect https://osg-htc.org/iid/fq8thqsj99zh 30.3001 809 Canisius_Wood My research is to study the proton hadronization by mining the CLAS6 data from Jefferson Lab. Michael Wood Canisius College Physics Nuclear Physics 14 OSG Connect https://osg-htc.org/iid/gq4rco2wmxx8 40.0806 617 CaseWestern_Tolbert Structural Biology Related to HIV/EV-71 Blanton Tolbert Case Western Reserve University Chemistry Structural Biology/Biophysics 14 OSG Connect https://osg-htc.org/iid/7kqlt19a4h39 26.0207 1480334498 CaseWestern_Zhang A project involving neuroimaging and genetics data for neurodegenerative disease. Lijun Zhang Case Western Reserve University Dept. of Population & Quantitative Health Sciences (PQHS) Biological and Biomedical Sciences 14 OSG Connect https://osg-htc.org/iid/7kqlt19a4h39 26 536 CatalystDesign Catalyst design project with a heterogenous catalyst, looking for stable structures Dequan Xiao University of New Haven Chemistry and Chemical Engineering Chemistry 14 OSG Connect https://osg-htc.org/iid/7b1hagvpg2j1 40.05 515 CatalystHTVS Using high throughput computing to screen molecular catalysts for energy fuel conversion based on experimental database or in-silico generated structures. In the next stage, the output from HTC calculations will be used to train machine learning models to allow faster and higher throughput molecular catalyst design. Heather J. Kulik Massachusetts Institute of Technology Chemical Engineering Physical Chemistry 14 OSG Connect https://osg-htc.org/iid/jtlq7k0qkxtn 40.0506 479 Cdms CDMS Experiment Cryogenic Dark Matter Search Lisa Goodenough CDMS CDMS High Energy Physics 9 Fermilab https://osg-htc.org/iid/ik4s3ql8u1j7 40.08 1842147504 CedarsSinai_Meyer The Platform for Single-Cell Science is a tool for improving both the reproducibility and accessibility of analytical pipelines developed for single-cell multiomics. Researchers will be able to upload their data, create an analysis pipeline using our javascript designer, and link their results to a publication. The raw data, analysis, and results will be made available for interactive exploration or download when users are ready to publish. We are hoping to understand if there is a way we can use OSG by sending jobs that are prepared on our website hosted on AWS to the OSG for execution. Jesse Meyer Cedars-Sinai Medical Center Computational Biomedicine Biological and Biomedical Sciences https://osg-htc.org/iid/cbf46cc12bz3 26.1103 112 CentaurSim Centaurs are icy objects in the outer solar system whose orbits cross those of the giant planets. It is thought that most Centaurs originate from the solar system's Kuiper Belt, a reservoir of icy bodies orbiting just beyond Neptune. However, a few Centaurs with very large orbital inclinations and/or mean orbital distances cannot be well-explained with a Kuiper Belt origin. Alternatively, it has been proposed that these outlier Cenaturs may come from the Oort Cloud, a spherical halo of icy objects that extends over halfway to the nearest star. In this project we will simulate the production of Centaurs from the Oort Cloud using numerical orbital integrations. Following this, we will run our simulated orbits/objects through a sky survey simulator to compare our simulated "detections" with the real sample of known objects. Thus, we will be able to evaluate whether the Oort Cloud is a potential source of Centaurs with extreme orbits. Nathan Kaib Northwestern University Physics and Astronomy Astrophysics 14 OSG Connect https://osg-htc.org/iid/5vvknn2bzgvt 40.0202 1840388199 Chapman_Atamian This project aims to identify naturally derived molecules with the potential to inhibit VP37, a key orthopoxvirus protein targeted by the antiviral drug Tecovirimat. Using GROMACS for molecular dynamics simulations and AutoDock Vina for molecular docking, we will screen candidates from the COCONUT natural product database. ACCESS resources will be used to support MD simulations, and molecular docking. Hagop Atamian Chapman University Biological Sciences, Schmid College of Science and Technology Biochemistry https://osg-htc.org/iid/wds3k660gq8j 26.0210 472850316 Charlotte_Fodor Dr. Anthony A. Fodor is currently a Principal Investigator of a research lab that oversees various microbiome studies that investigates the correlation between the ecology of various microbial environments and human health. Additionally, Dr. Fodor leads his lab members in the development of reproducible bioinformatics pipelines for processing and performing statistical analysis on sequencing data extracted from microorganisms. Finally, Dr. Fodor is a project lead for a NSF funded precision microbiome engineering research center (https://fodorlab.charlotte.edu/directory/anthony-fodor-0 / https://premier-microbiome.org/data-analytics/). Anthony Fodor University of North Carolina at Charlotte Department of Bioinformatics and Genomics Biological and Biomedical Sciences https://osg-htc.org/iid/zehhuc2wlzf7 26.9999 1179657501 Charlotte_URC University Research Computing provides high-performance computing and analytics capabilities to support the research and teaching missions at UNC Charlotte. Matthew West University of North Carolina at Charlotte University Research Computing Computer and Information Services https://osg-htc.org/iid/zehhuc2wlzf7 11.0101 1199789983 ChemistrySchmidt http://schmidt.chem.wisc.edu/ JR Schmidt University of Wisconsin–Madison Chemistry Chemistry https://osg-htc.org/iid/fq8thqsj99zh 40.1002 198423264 Chemistry_Huang The main goal of our lab is to understand and manipulate biomolecular dynamics by developing and applying novel statistical mechanics based methods that can bridge the gap between experiments and simulations. (https://huang.chem.wisc.edu/) Xuhui Huang University of Wisconsin–Madison Chemistry Chemistry https://osg-htc.org/iid/fq8thqsj99zh 40.0511b 1288078271 Chemistry_Yang We are a theoretical and computational group specializing in electronic structure theory and dynamics theory. https://yang.chem.wisc.edu/ Yang Yang University of Wisconsin–Madison Chemistry Chemistry https://osg-htc.org/iid/fq8thqsj99zh 40.0511 172210169 Chtc-Visitors Temporary accounts for external users at CHTC. Aaron Moate University of Wisconsin–Madison Computer Sciences Computer and Information Services https://osg-htc.org/iid/fq8thqsj99zh 11.0101 1507874337 Cincinnati_Combs Facilitating research computing efforts campus-wide Jane Combs University of Cincinnati Advanced Research Computing Research Computing https://osg-htc.org/iid/52f5piuly2gg 11.0101 824 Cincinnati_RCD Research Technologies staff at the University of Cincinnati Jane Combs University of Cincinnati Advanced Research Computing Center Computer Sciences 14 OSG Connect https://osg-htc.org/iid/52f5piuly2gg 11.0701a 1672967698 Clarkson_Roulston This project uses the stellar evolution code MESA (Modules for Experiments in Stellar Astrophysics) to model stars undergoing varying amounts of mass accretion across a range of initial masses. By evolving large grids of one-dimensional stellar models with detailed microphysics, I examine how accretion alters internal structure, chemical composition profiles, and long-term evolutionary outcomes. The results help constrain how mass transfer histories shape observable stellar properties and the formation of compact remnants. See https://benjaminroulston.com/research Benjamin Roulston Clarkson University Department of Physics Astrophysics https://osg-htc.org/iid/o2qtl8pbjmss 40.0202 87594965 Clarkson_Scrimgeour This research project aims to model the synthesis of hyaluronan by its synthase during both normal membrane-based processive synthesis and during in vitro non-processive reactions. Simulations built from kinetic models of the hyaluronan synthesis processes will predict product molecular weight distributions and enable structure predictions for the glycocalyx on living cells using numerical self consistent field theory. Structure predictions will be compared to experimental results for brush densities and microparticle penetration based on high resolution single particle tracking data. (Institutional Website: https://www.clarkson.edu/people/jan-scrimgeour) Jan Scrimgeour Clarkson University Department of Physics Biophysics https://osg-htc.org/iid/o2qtl8pbjmss 26.0203 329 Clemson HTC training for the computational scientist at Clemson University. Marcin Ziolkowski Clemson University Computational Science Multi-Science Community 14 OSG Connect https://osg-htc.org/iid/ricyf18amt49 11.9999 653 Clemson_Sarupria Ensemble-based simulations Sapna Sarupria Clemson University Chemical and Biomolecular Engineering Engineering 14 OSG Connect https://osg-htc.org/iid/ricyf18amt49 14 1009461222 Clemson_Wang Our research objective is to build a foundational model to evaluate heterogeneous, multi-agent robotic teams for multi-modal inputs. Yue Wang Clemson University Mechanical Engineering Engineering https://osg-htc.org/iid/ricyf18amt49 14.4201 540 CloudTemplate Cloud Custom Template for Non-Experts Prasad Calyam University of Missouri-Columbia Electrical Engineering and Computer Science Computer Science 14 OSG Connect https://osg-htc.org/iid/dohu2f6ba08u 11.07 400 ClusterJob ClusterJob is a project for 'painless massive computational experiments'. Visit www.clusterjob.org Hatef Monajemi Stanford University Statistics Computer and Information Science and Engineering 14 OSG Connect https://osg-htc.org/iid/keucrg5vtwtm 11 760 Coe_Stobb Simulations modeling blood flow out of injury sites in the body using ODE and PDE techniques. Michael T. Stobb Coe College Mathematical Sciences Mathematics 14 OSG Connect https://osg-htc.org/iid/56nmp7cfr45b 27.01 992287887 Collab-Staff Staff supporting mid-size collaborations as part of the OSG Consortium. Frank Wuerthwein University of Chicago Enrico Fermi Institute Computer and Information Science and Engineering https://osg-htc.org/iid/o14joi278jrs 11.0101 1978977404 Columbia_Alquraishi Building a model of protein sequence to structure relationships and using it to predict the DNA binding motifs of transcription factors based on their structure. Mohammed Alquraishi Columbia University Department of Systems Biology Biological Sciences 14 OSG Connect https://osg-htc.org/iid/avy4x5r4jsrw 26 696 Columbia_Eaton Computation for Plant Phylogenomics Deren Eaton Columbia University Ecology, Evolution, and Environmental Biology Biological Sciences 14 OSG Connect https://osg-htc.org/iid/avy4x5r4jsrw 26 812 Columbia_Gibson fMRI Data Processing Lisa Gibson Columbia University Psychology Health 14 OSG Connect https://osg-htc.org/iid/avy4x5r4jsrw 51 783 Columbia_Jensen Bayesian biology models Johanna Jensen Columbia University Department of Ecology, Evolution, and Environmental Biology Biological and Biomedical Sciences 14 OSG Connect https://osg-htc.org/iid/avy4x5r4jsrw 26 111589878 Columbia_Laine Mathematical analysis and quantification of medical images, signal and image processing, computer-aided diagnosis and biomedical/imaging informatics. Andrew Laine Columbia University Biomedical Engineering Biological and Biomedical Sciences https://osg-htc.org/iid/avy4x5r4jsrw 14.0501 1420515722 Columbia_Mandal Recent experiments demonstrated that by placing a molecule inside an optical cavity one can modify ground state chemical reactivity. It has been observed that when molecular vibrations are strongly coupled to the quantized radiation field inside an optical cavity, the chemical kinetics is suppressed. The theoretical understanding of such remarkable effects remains elusive. In this work, a quantum dynamics approach for simulating the vibration-cavity (Vibro-Polaritons) hybrid system will be developed. Arkajit Mandal Columbia University Department of Chemistry Chemistry 14 OSG Connect https://osg-htc.org/iid/avy4x5r4jsrw 40.0501 1354109771 Columbia_Reichman In this work, we will develop a coarse-grained semiclassical method to simulate quantum dynamics of coupled electron-phonon systems. First, we will benchmark our method against exact numerical approaches and then combine with ab-initio calculations. Using our approach, we will also investigate quantum dynamical effects in materials strongly coupled to quantized light. David Reichman Columbia University Chemistry Department Chemistry https://osg-htc.org/iid/avy4x5r4jsrw 40.0501 382 CombinedPS Design and control of exoskeletons (and prostheses) thus far has been primarily carried out following heuristic methods and exhaustive experimental (design and test) procedures. This approach significantly slows down design iterations and increases project costs. A predictive simulation framework for combined human and device dynamics is a valuable tool that can significantly accelerate optimal device and controller design. We are building predictive models of combined muscuoloskeletal and exoskeleton dynamics for walking, where design parameters for the exoskeleton (such as actuation torque profiles) and various objective functions (such as metabolic cost) can be optimized simultaneously. Ozkan Celik Colorado School of Mines Mechanical Engineering Biological and Critical Systems 14 OSG Connect https://osg-htc.org/iid/2gwyao3kqhpn 26 56 CometCloud CometCloud is an autonomic framework for enabling real-world applications on dynamically federated, hybrid infrastructure integrating (public & private) clouds, data-centers and Grids. Specifically, CometCloud provides abstractions and mechanisms to support a range of programming paradigms and real-world applications on such an infrastructure. Furthermore, it enables policy-based autonomic cloud-bridging and cloud-bursting. Autonomic cloud-bridging enables on-the-fly integration of local computational environments (data-centers, grids) and public cloud services (such as Amazon EC2), and autonomic cloud-bursting enables dynamic application scale-out to address dynamic workloads, spikes in demands, and other extreme requirements. Currently, we support various applications as part of our collaborations in multiple domains such as medical diagnostics, material sciences, biology, and engineering. Javier Diaz-Montes Rutgers, The State University of New Jersey Electrical and Computer Engineering Computer and Information Science and Engineering 30 OSG https://osg-htc.org/iid/qrem5k97ikiv 11 594 CompBinFormMod Computational modeling of the formation of black hole and neutron star binary systems. Richard O'Shaughnessy Rochester Institute of Technology School of Mathematical Sciences Astronomy and Astrophysics 14 OSG Connect https://osg-htc.org/iid/khe0lt7x352p 40.0202 18 CompChem Modeling and simulation of molecules. Chaoren Liu Duke University Chemistry Chemistry 14 OSG Connect https://osg-htc.org/iid/v0pbd5jfz81s 40.05 19 CompNeuro To give you a brief idea, I am trying to identify the information flow among several brain regions in rats in the neuronal level. The rats were actively doing a aperture discrimination task (whether a gate opened wide or narrow). I wish to find not only the static neuronal circuitry of the sensory input, but also the dynamics of the flow across time. Po-He Tseng Duke University Neurobiology Neuroscience 14 OSG Connect https://osg-htc.org/iid/v0pbd5jfz81s 26.15 20 ConnectTrain OSG user training activity. Christina Koch Open Science Grid Research Facilitation Training 14 OSG Connect https://osg-htc.org/iid/8hgx4a4ptpt9 30.3001 108 ContinuousIntegration Provides continuous build and test services for OSG Connect via Jenkins. Robert William Gardner Jr University of Chicago Computation Institute Technology 14 OSG Connect https://osg-htc.org/iid/o14joi278jrs 30.3001 1376804992 Cornell_Bradic We are working on building a new methodology to develop double robust estimators for continuous treatment effect in causal inference, to obtain optimal convergence rate and smaller bias. Jelena Bradic Cornell University Department of Statistics and Data Science Statistics https://osg-htc.org/iid/0lcrhlbjpu9r 27.0503 750 Cornell_Gage Genomic basis of maize protein abundance dysregulation Joseph Gage Cornell University Institute for Genomic Diversity Agricultural Sciences 14 OSG Connect https://osg-htc.org/iid/0lcrhlbjpu9r 01 733 Cornell_Lai Scalable and reproducible bioinformatics through the Galaxy platform William KM Lai Cornell University Molecular Biology and Genetics Biological Sciences 14 OSG Connect https://osg-htc.org/iid/0lcrhlbjpu9r 26 718 Cornell_Pugh Bioinformatics Tool Development Frank Pugh Cornell University Molecular Biology and Genetics Biological Sciences 14 OSG Connect https://osg-htc.org/iid/0lcrhlbjpu9r 26 212539179 Cornell_Sandoz We study bacterial survival. Particularly, we are interested in cell wall modifications in response to changing environments. https://www.ksandozlab.com/new-page-2 Kelsi Sandoz Cornell University Population Medicine and Diagnostic Sciences Biological and Biomedical Sciences https://osg-htc.org/iid/0lcrhlbjpu9r 26.0903 1148838717 Cornell_Templier The research is to study the geometry of rounding differentiable functions. Nicolas Templier Cornell University Mathematics Engineering https://osg-htc.org/iid/0lcrhlbjpu9r 14.1001 110 CotranslationalFolding There is now a large body of experimental evidence that the ability of many proteins to reach full functionality in a cell depends strongly on the rate at which individual codons are translated by the ribosome during protein synthesis. This project aims to demonstrate that, counter to conventional wisdom, fast-translating codons can help coordinate co-translational protein folding by minimizing misfolding [O’Brien, Nature Comm. 2014]. To do this we will use a two-step approach: First (Aim 1), we will utilize coarse-grained molecular dynamics simulations in combination with a genetic algorithm to find the optimal codon translation rate profile that maximizes the co-translational folding of a protein. And then (Aim 2) mutate, in silico, fast-translating codon positions to slower rates to test, if as predicted, we observe a concomitant decrease in the amount of co-translational folding. The results of this study will provide a new computational tool for the rational design of mRNA sequences to control nascent proten behavior. Edward O'Brien The Pennsylvania State University Chemistry Biophysics 30 OSG https://osg-htc.org/iid/f1tlj6c19ppg 26.02 328 CpDarkMatterSimulation Generate a grid of Monte Carlo samples to be used in collider-based searches for dark matter Christoph Paus Massachusetts Institute of Technology Physics High Energy Physics 30 OSG https://osg-htc.org/iid/jtlq7k0qkxtn 40.08 124762769 Creighton_Kokensparger Digitally analyzing handwritten burial permit records from an historic cemetery. Brian Kokensparger Creighton University Computer Science, Design & Journalism Department Computer and Information Services 14 OSG Connect https://osg-htc.org/iid/wlb963nidmau 11.01 62 DBConcepts We're conducting a network analysis of a 10% sample (1.6TB; 3.6m files) of the Google Books corpus. Richard Jean So University of Chicago Interdisciplinary Computer and Information Science and Engineering 14 OSG Connect https://osg-htc.org/iid/o14joi278jrs 11 748 DDPSC_Baxter Genome-wide association analysis of elemental accumulation in the Maize Nested Association Mapping panel Ivan Baxter Donald Danforth Plant Science Center Plant Genetics Biological and Biomedical Sciences 14 OSG Connect https://osg-htc.org/iid/rsgxpux8bm0h 26 492 DES Project entry corresponding to the Dark Energy Survey (DES) VO. Nikolay Kuropatkin Fermilab N/A Astrophysics 9 Fermilab https://osg-htc.org/iid/ik4s3ql8u1j7 40.0202 523 DESDM The Dark Energy Survey (DES) is about to complete its five-year observing program. This consists of a 5000 square-degree wide field survey in 5 optical bands of the Southern sky and a 30 square-degree deep supernova survey with the aim to understand the nature of Dark Energy and the accelerating Universe. DES uses the 3 square-degree CCD camera (DECam), installed at the prime focus of the Blanco 4-m to record the positions and shapes of 300 million galaxies up to redshift 1.4. During a normal night of observations, DES produces about 1 TB of raw data, including science and calibration images, which are transported automatically from Chile to the National Center for Supercomputing Applications in Urbana, Illinois to be archived and reduced. The DES Data Management system (DESDM) is in charge of the processing, calibration and archiving of these data into science-ready data products for analysis by the DES Collaboration and the public. Don Petravick National Center for Supercomputing Applications (NCSA) N/A Astronomy 14 OSG Connect https://osg-htc.org/iid/ypnvkgxa67oy 40.02 355 DOSAR Distributed Organization for Scientific Academic Research. International outreach projects sponsored by the DOSAR Virtual Organization. Students that would like to maintain accounts on OSG. Rob Quick DOSAR HEP Education 30 OSG https://osg-htc.org/iid/xvsrc4eixk2g 13 423 DTWclassifier Pattern classifier of neuronal responses with dynamic time warping as a distance measure. Luke Remage-Healey University of Massachusetts Amherst Psychological and Brain Sciences Neuroscience 14 OSG Connect https://osg-htc.org/iid/sqj1fi5b7fdj 26.15 488 DUNE Project entry corresponding to the DUNE VO. Thomas Robert Junk DUNE N/A High Energy Physics 9 Fermilab https://osg-htc.org/iid/ik4s3ql8u1j7 40.0804 1134002200 Dartmouth_Chaboyer Computational stellar models are widely used in astrophysics and are often consulted to interpret observations of starlight. My research group aims to improve stellar models by incorporating updated physics into the models, creating a database of stellar models for use by other researchers, and to use these improved stellar models to study a variety of issues related to galactic archelogy and the formation of galaxies. https://stellar.host.dartmouth.edu Brian Chaboyer Dartmouth College Physics and Astronomy Astronomy and Astrophysics https://osg-htc.org/iid/ay2n55g6y1cq 40.0202 462 DataSaoPaulo A project for teaching the grid computing component at Sao Paulo, Brazil Rob Quick Indiana University UITS Education 14 OSG Connect https://osg-htc.org/iid/uws6kivcttuc 13 349 DataTrieste CODATA/RDA Summer School on Research Data Science Rob Quick International Center for Theoretical Physics Education Multi-Science Community 30 OSG https://osg-htc.org/iid/p735q1p38unz 30 1204137902 Dearborn_Shawver AP Research project on 3x+1 conjecture Kimberly Shawver Dearborn Center for Math, Science, and Technology Computer Science Computer and Information Sciences 14 OSG Connect https://osg-htc.org/iid/v8uoprmk1nb2 11.0101 413 DeepMail To develop a contextual search technique on a given text corpus. The idea is to develop a search model using Deep Learning techniques and Natural Language Processing. More specifically, we are currently exploring Word Embedding techniques in NLP and Neural Network models like Word2Vec. The model would first train itself on the existing email corpus of a given user and then be able to provide search results based on contextual queries. Micheal Marasco Northwestern University Farley Center for Entrepreneurship and Innovation Computer and Information Science and Engineering 14 OSG Connect https://osg-htc.org/iid/5vvknn2bzgvt 11 57 DeerDisease I have created an individual-based computer model simulating disease spread in deer populations. The population in the model is represented by deer agents that all follow rules and behaviors. I am using Repast Simphony 1.0 and the code is written in java. Lene Jung Kjaer Southern Illinois University Department of Zoology Biological Sciences 30 OSG https://osg-htc.org/iid/530k2ll1w59q 26 148 DelhiWorkshop2015 Workshop at Delhi Robert William Gardner Jr University of Chicago Computation Institute Physics 14 OSG Connect https://osg-htc.org/iid/o14joi278jrs 40.08 172 DemandSC We estimate switching costs with aggregate data in the context of price wars and collusion to study how mergers and changes to market structure affect welfare under the different competitive scenarios Fernando Luco Texas A&M University Economics Economics 14 OSG Connect https://osg-htc.org/iid/8wqbbz4i2cma 52.0601 530 DemoSims Population demographics Jeffrey D Jensen Arizona State University Life Sciences Evolutionary Biology 14 OSG Connect https://osg-htc.org/iid/er1rnzey26m9 26.1303 5 DetectorDesign Investigate how different simulated SPECT system geometries can affect reconstructed images. John Strologas University of New Mexico Physics and Astronomy Medical Sciences 30 OSG https://osg-htc.org/iid/pclpz1bwbpdi 26 506 DiffCorr Dynamics of electrons with different degree of correlations Jacek Herbrych University of Tennessee Department of Physics and Astronomy Computational Condensed Matter Physics 14 OSG Connect https://osg-htc.org/iid/hp8930spi37u 40.0808 457 Diffpred Modelling and simulation of diffusion magnetic resonance images (dMRI) using white matter tract mapping information Franco Pestilli Indiana University Neuroscience Neuroscience 14 OSG Connect https://osg-htc.org/iid/uws6kivcttuc 26.15 455 Diffusion-predictor Diffusion predictor from IU Brain Science Soichi Hayashi Indiana University Brain Science Neuroscience 30 OSG https://osg-htc.org/iid/uws6kivcttuc 26.15 473 Dissertation This study involves the use of Monte Carlo simulation methods to test the use of mixture models to improve the estimation of a latent ability. Ann Arthur University of Nebraska\u2013Lincoln Educational Psychology Educational Psychology 14 OSG Connect https://osg-htc.org/iid/q9k1b8dfrw25 42.2806 148621510 Doane_Engebretson Parallel computing class Alec Engebretson Doane University Information Science & Tech Computer Sciences 14 OSG Connect https://osg-htc.org/iid/f9c86mft1gzz 11.0701a 1176439649 Doane_Meysenburg This fall, I'm teaching a seminar for undergraduate students participating in the "Developing Computational Efficacy and Skill Within an Inclusive Community of Practice in the Natural Sciences" NSF grant, award number 2142238. In the grant, we teach natural science students coding skills through Python image processing. A central part of the seminar is to teach the students how to improve the performance of their Python code. As a capstone to that portion of the class, students will use OSG Services. Mark Meysenburg Doane University Information Science & Technology Computer and Information Services https://osg-htc.org/iid/f9c86mft1gzz 11.0101 1986114859 Doshisha_ADS_2025_Koita Computer and information course, including scientific computing using high throughput computing systems. Takahiro Koita Doshisha University Faculty of Science and Engineering Department of Information Systems Design Computer and Information Science and Engineering https://osg-htc.org/iid/ta9ty4fg27q4 11.0101 763263391 Drexel_URCF Accounts for Drexel University Research Computing Facility Staff; Information about our facility: https://drexel.edu/core-facilities/facilities/research-computing/ David Chin Drexel University University Research Computing Facility Computer Sciences 14 OSG Connect https://osg-htc.org/iid/g2gycmag14p1 11.0701a 14 Duke-QGP Event-by-event simulations of relativistic heavy-ion collisions. QGP characterization via model-to-data comparison. Steffen A. Bass Duke University Physics Nuclear Physics 30 OSG https://osg-htc.org/iid/v0pbd5jfz81s 40.0806 1477014382 Duke_Charbonneau Periodic microphases universally emerge in systems for which short-range inter-particle attraction is frustrated by long-range repulsion. The morphological richness of these phases makes them desirable material targets, but our relatively coarse understanding of even simple models limits our grasp of their assembly. The OSG computing resources will enable us to explore more solutions of the equilibrium phase behavior of a family of similar microscopic microphase formers through specialized Monte Carlo simulations. Patrick Charbonneau Duke University Chemistry Computational Condensed Matter Physics https://osg-htc.org/iid/v0pbd5jfz81s 40.0808 2039537758 Duke_Kamaleswaran Development of novel machine learning methods for temporal irregular event streams and to derive novel causal inference from the time series. Rishi Kamaleswaran Duke University Surgery Computer and Information Services https://osg-htc.org/iid/v0pbd5jfz81s 11.0101 74843387 Duke_Singh Understanding the kinetics of drug-target interactions is important for designing therapeutics with desirable pharmacological profiles. Current experimental and simulation methods for studying ligand residence time are expensive and low-throughput. We seek to model ligand residence time for numerous systems using molecular dynamics simulations and distill this information into a machine learning predictive model that can be applied to high-throughput screening and optimization. Lab website: https://singhlab.net/. Rohit Singh Duke University Biostatistics & Bioinformatics, Cell Biology Computational Biology https://osg-htc.org/iid/v0pbd5jfz81s 26.1104 1150572103 ECE_Hu Machine learning method development and implementation Yu Hen Hu University of Wisconsin–Madison Electrical and Computer Engineering Computer and Information Science and Engineering https://osg-htc.org/iid/fq8thqsj99zh 14.4701 1439712351 ECE_Lee Theory and algorithms for foundation models. Kangwook Lee University of Wisconsin–Madison Electrical & Computer Engineering Engineering https://osg-htc.org/iid/fq8thqsj99zh 11.0701 344715790 ECE_Mawst Modeling the design and behavior of components for semiconductor materials, devices, and lasers. Luke Mawst University of Wisconsin–Madison Engineering Engineering https://osg-htc.org/iid/fq8thqsj99zh 14.4701 1860189474 ECE_Miguel The Miguel group explores new paradigms such as approximate, stochastic and intermittent computing for energy-harvesting IoT devices as well as traditional architectures, ranging from microarchitectural topics (e.g., branch prediction, value prediction) to cache hierarchies and networks-on-chip for many-core processors. https://jsm.ece.wisc.edu/ Joshua San Miguel University of Wisconsin–Madison Electrical and Computer Engineering Computer and Information Science and Engineering https://osg-htc.org/iid/fq8thqsj99zh 14.4701 419596106 ECE_Vinayak My research broadly spans the areas of Machine Learning, Statistical Inference, and Crowdsourcing. My research vision is to develop theoretically grounded machine learning tools to make reliable inferences using data that comes from people. Ramya Korlakai Vinayak University of Wisconsin–Madison Electrical & Computer Engineering Engineering https://osg-htc.org/iid/fq8thqsj99zh 11.0701b 8 ECFA Simulate hundreds of millions of high-energy proton proton collisions, which mimic the collisions expected at the LHC in the coming years. This simulated data is used to assess the physics potential of potential detector upgrades, allowing decision makers and funding agencies to plan for the future. Meenakshi Narain Brown University Physics High Energy Physics 30 OSG https://osg-htc.org/iid/0ytxfy0n4hol 40.08 361 EDFCHT The project looks into the use of heteroskedasticity consistent variance-covariance estimators for conducting hypothesis testing. It uses Monte Carlo and bootstrap techniques to find the distribution of t-statistics using heteroskedasticity consistent variance-covariance estimator under normality and nonnormality. Comparison between using different heteroskedasticity consistent estimators are included and possible corrections are proposed and will be examined. Jianghao Chu University of California, Riverside Economics Economics 14 OSG Connect https://osg-htc.org/iid/zy99b9jjoqpb 42.27 188 EHEC Project Description: Our research is primarily focused on the transmission and evolution of two zoonotic pathogens, enterohemorrhagic Escherichia coli (EHEC) and Salmonella. These pathogens reside in the intestinal tracts of animal hosts where they encounter diverse microbial communities, fluctuating nutrient levels, and myriad host factors. Transmission between hosts requires these pathogens to survive varied environmental conditions. The general stress protection system (regulated by the alternative sigma factor, σs) is known to play a central role in environmental persistence and transmission. Acid and desiccation tolerance are two transmission-associated phenotypes that are dependent upon σs –regulated genes. We are also investigating the role of prophage in fitness. EHEC harbor multiple lambda-like prophage and cryptic phage remnants in their genome that facilitate genomic rearrangements, gene duplications, and deletions by homologous recombination. We are investigating how these phage-mediated genomic rearrangements influence the persistence of EHEC in its bovine host and the environment. The goals of our research are to use results from these fundamental studies in the development of strategies to reduce pathogen transmission. Chuck Kaspar University of Wisconsin–Madison Bacteriology Microbiology 14 OSG Connect https://osg-htc.org/iid/fq8thqsj99zh 26.05 323538648 EHT_2023_Chan The EHT project combines data from several very-long-baseline interferometry (VLBI) stations around Earth, which form a combined array with an angular resolution sufficient to observe objects the size of a supermassive black hole's event horizon. The project's observational targets include the two black holes with the largest angular diameter as observed from Earth: the black hole at the center of the supergiant elliptical galaxy Messier 87, and Sagittarius A*, at the center of the Milky Way. Chi-Kwan Chan University of Arizona Astronomy Astronomy https://osg-htc.org/iid/7rjyoz6kb8vq 40.02 12 EIC Electron Ion Collider (EIC) at BNL: Modeling the performance and optimizing the design of the prospected future Electron Ion Collider (EIC) at BNL. https://wiki.bnl.gov/eic/index.php/Main_Page Tobias Toll Brookhaven National Laboratory Physics Department High Energy Physics 30 OSG https://osg-htc.org/iid/g29k1hhqys0y 40.0806 526 EICpseudodata Monte Carlo simulations of particle production in the set-up corresponding to the kinematics of observables, which are planned to be measured in the future US-based Electron Ion Collider facility. Vladimir Khachatryan State University of New York at Stony Brook Department of Physics and Astronomy Nuclear Physics 14 OSG Connect https://osg-htc.org/iid/qqd2s2b6m7eh 40.0806 427 EMODIS-NDVI processing EMODIS NDVI using HTC Dayne Broderson University of Alaska Fairbanks Geographic Information Network of Alaska Geographic Information Science 14 OSG Connect https://osg-htc.org/iid/85bj3tcfwa1z 45.0702 191 ERVmodels Project Description: Endogenous retroviruses (ERVs) are viewed as ancient retroviral infections in vertebrate genomes and are commonly referred to as viral fossils, accounting for approximately 8% of the human genome. In order to increase our understanding of these viruses in host genomes, I am developing more complex models that describe the evolution of ERVs in host genomes. Specifically, I am interested in understanding evolutionary patterns of ERVs that have intact genes and are theoretically able to re-infect when compared to those that lost this ability. Fabricia Nascimento University of Oxford Department of Zoology Zoology 14 OSG Connect https://osg-htc.org/iid/rs6jusb08ogc 26.07 2107736775 ETHZ_Zhang To make machine learning techniques widely accessible. Ce Zhang ETH Zurich Computer Science Computer Science 14 OSG Connect https://osg-htc.org/iid/fuib5manpc6a 11.07 1389453473 EWMS_Riedel_Startup WIPAC is focused on neutrino astrophysics, operating the IceCube Neutrino Observatory and other projects around the world. Benedikt Riedel University of Wisconsin–Madison Wisconsin IceCube Particle Astrophyics Center Computer and Information Science and Engineering https://osg-htc.org/iid/fq8thqsj99zh 14.0903 58267066 Emory_Boettcher Finite-size corrections in spin glasses and combinatorial optimization Stefan Boettcher Emory University Department of Physics Condensed Matter Physics 14 OSG Connect https://osg-htc.org/iid/yaw5atxcrn55 40.0808 557024568 Emory_Chavez Simulate Monte Carlo experiments of social interaction models to assess the small sample performance of the estimator. David Jacho-Chavez Emory University Department of Economics Economics 14 OSG Connect https://osg-htc.org/iid/yaw5atxcrn55 42.2707 326564611 Emory_Pesavento The goal of our research project is to develop a new technique to estimate impulse response functions in Time-varying-parameters vector autoregressive models (in short: TVP-VARs). TVP-VARs are particularly useful because, unlike traditional VAR models, they accounts for changing economic conditions by allowing parameters to change over time. Estimating impulse responses (one of the main tools in macroeconomic analysis) in a TVP-VAR requires the implementation of Markov Chain Montecarlo algorithms (such as Gibbs sampling). This is a computationally demanding task in a TVP-VAR framework, due to the huge number of parameters to estimate. However, we could substantially ease such task by using parallel computing techniques. In this way, we could provide policy makers with a more realistic and flexible framework use to perform macroeconomic policy evaluation." Elena Pesavento Emory University Economics Economics https://osg-htc.org/iid/yaw5atxcrn55 45.0601 367 EmpModNatGas I study the privately negotiated outcomes of the natural gas leasing market for mineral rights using a one-to-many matching model that allows for the presence of complementary preferences among firms negotiating bundles of land leases. Ashley Vissing University of Chicago Economics Economics 14 OSG Connect https://osg-htc.org/iid/o14joi278jrs 3.02 1865982479 EngrPhysics_Wilson The Wilson group focuses on developing improved tools for computational modeling of complex nuclear energy systems, with applications in radiation shielding, nuclear waste management, nuclear non-proliferation and energy policy. Paul Wilson University of Wisconsin–Madison Nuclear Engineering & Engineering Physics Engineering https://osg-htc.org/iid/fq8thqsj99zh 14.2301 452 EpiBrain We are trying to better understand how networks evolve in the brain of animals and humans with epilepsy. We hope to leverage this information in the design of more effective electrical stimulation paradigms. David Mogul Illinois Institute of Technology Biomedical Engineering Neuroscience 14 OSG Connect https://osg-htc.org/iid/3jn3w1ccwxwd 26.15 351028049 Etown_Wittmeyer I am interested in examining experience-dependent neuroplasticity and individual differences in humans as it pertains to learning and memory. In particular, I analyze structural magnetic resonance imaging (sMRI) data from various neuroimaging data-sharing platforms to explore changes in gray matter across learning and/or correlate learning performance with various cognitive and demographic factors. Jennifer Legault Wittmeyer Elizabethtown College Psychology Psychology and Life Sciences 14 OSG Connect https://osg-htc.org/iid/zwt3bodiwnsy 26.1599b 2122690389 Eureka_Danehkar Modeling Reflection around Black Holes Ashkbiz Danehkar Eureka Scientific, Inc. Eureka Scientific Astronomy and Astrophysics 14 OSG Connect https://osg-htc.org/iid/ldk00hbo5m5x 40.0202 354 EvoProtDrug Little is known about the evolutionary pathways enabling a protein to change its function to changing environmental needs, especially in regards to metabolism and toxicity. Evolution simulations that explicitly model the three-dimensional interaction of mutated proteins with their targets is a new approach that complements the ongoing explosion of directed evolution experiments. In this project, the evolutionary dynamics of a lattice representation of antibiotic resistance protein (beta lactamase) is studied by enhanced-sampling folding-binding simulations for an initial protein undergoing selection-dependent mutation to bind a new antibiotic. The goals of this work are to understand the fundamental physical bottlenecks and dynamical behavior of protein evolution. Important questions include the extent of dominant pathways (convergent evolution) and phase transitions in evolutionary rates (punctuated equilibrium). These principals and their structural underpinnings can also be used to inform rational design of antibiotics that exploit bottlenecks in pathogen mutational response. Milo Lin UT Southwestern Green Center for Systems Biology Biophysics 14 OSG Connect https://osg-htc.org/iid/26ns7uva5t0a 26.02 21 EvoTheory Linkage disequilibrium's contribution to the maintenance of sexual reproduction Though sexual reproduction is nearly ubiquitous in nature, its costs are substantial. Foremost among these costs are the twofold cost of males and the cost of destroying successful genetic associations. Understanding the paradox of the persistence of sex despite these detriments is a central question in evolutionary theory. In order to persist regardless of these disadvantages, the benefits of sexual reproduction must be substantial - offspring of sexual reproduction must have at least twice the fitness of asexual clones. The most generalizable hypotheses addressing the benefits of sex propose that genetic drift increases linkage disequilibrium, creating a surfeit of genomes with intermediate fitness. Sexual recombination eliminates linkage disequilibrium, thereby increasing genetic variation for fitness and improving the efficiency of natural selection. However, previous research using this framework has failed to address the biological reality of interactions between genes. Because the cost of destroying beneficial genetic interactions is one of the major costs of sex, this cannot be overlooked. In this work, I use a computational gene network model in which genes interact and genetic interactions evolve to investigate the hypothesis that linkage disequilibrium decreases the fitness and adaptability of asexual populations. I test this both by evolving artificial organisms in conditions that will increase linkage disequilibrium, and by evolving them in an environment with a shifting optimum, which will make linkage disequilibrium more costly. I am running a python script that runs populations of artificial gene networks (numerical matrices) through repeated rounds (on the order of 10s of thousands) of mutation, selection and reproduction, analyzing the evolutionary dynamics of these populations, and storing the data generated by this in text files. Christina Burch University of North Carolina at Chapel Hill Biology Evolutionary Sciences 14 OSG Connect https://osg-htc.org/iid/nhz3r9d0308l 26.13 420 EvolCE Multi-locus simulations under periodic environments. Davorka Gulisija University of Pennsylvania Biology Biological Sciences 14 OSG Connect https://osg-htc.org/iid/nv2rjrft01gg 26 166 EvolSims Evolutionary simulation tracking gene frequencies under a variety of environmental conditions. Oana Carja University of Pennsylvania Biology Biological Sciences 14 OSG Connect https://osg-htc.org/iid/nv2rjrft01gg 26.131 176 EvolvingAI Modern day software and robotics are notorious for lacking robustness and adaptability, often breaking down when encountering unexpected situations. Natural animals, on the other hand, are well known for their robustness and their ability to adapt to new environments. The Evolving Artificial Intelligence project aims to study how the robustness and adaptability of natural animals evolved, both to learn more about natural evolution, and to increase the robustness and adaptability of modern software and robotics systems. Jeff Clune University of Wyoming Computer Science Computer and Information Science and Engineering 14 OSG Connect https://osg-htc.org/iid/08r7n3jv5f14 11 66 ExhaustiveSearch ExhaustiveSearch (or ExSearch) is a machine learning application tuned to analyze class-labeled data using n-tuple feature vectors. Sam Volchenboum University of Chicago Computation Institute Bioinformatics 14 OSG Connect https://osg-htc.org/iid/o14joi278jrs 26.1103 528 ExoplanetaryACS In this project, the absorption cross section (or molecular opacity) and important exoplanetary atmospheric molecules will be generated. Michael R. Line Arizona State University School of Earth and Space Exploration Astrophysics 14 OSG Connect https://osg-htc.org/iid/er1rnzey26m9 40.0202 509 FDDRCS The Project entails the estimation of a general equilibrium heterogenous firms dynamic model with default. The Project is related to the paper "Financial Development, Default Rates, and Credit Spreads" (abstract below), at the moment R&R at the Economic Journal. Alessandro Peri University of Colorado Boulder Economics Economics 14 OSG Connect https://osg-htc.org/iid/gpeckuwpdnrs 45.06 1292661474 FDLTCC_Wetherbee Using Open Science Pool for 1D simulation problems Ted Wetherbee Fond du Lac Tribal & Community College Mathematics Astronomy 14 OSG Connect https://osg-htc.org/iid/49ek6whykyi8 40.02 589 FECliu Monte Carlo simulations for designing channel error correction codes Yanfang Liu New Mexico State University Electrical Engineering Engineering 14 OSG Connect https://osg-htc.org/iid/zoe98r1f2ztc 14 522 FEMyo Using FEM and multi-parametric design to perform mechanical simulations of metamaterial structures for the purpose of mechanical characterization. These structures will subsequently be screened for use as a myocardial support device. Kevin Costa Icahn School of Medicine at Mount Sinai Cardiology Biomedical research 14 OSG Connect https://osg-htc.org/iid/uwam2e6xh8l2 26 611 FF15IPQEXT Parameterizing force fields for artificial amino acids through molecular dynamic simulations Lillian Chong University of Pittsburgh Chemistry Chemistry 14 OSG Connect https://osg-htc.org/iid/2ayx10b74xua 40.05 100 FFValidate This project will involve running molecular dynamics simulations to validate new protein force fields. We will be comparing the results of the simulations to experimental protein crystal structures and nuclear magnetic resonance (NMR) measurements. Vijay Pande Stanford University Department of Chemistry Chemistry 14 OSG Connect https://osg-htc.org/iid/keucrg5vtwtm 40.05 564 FIFE Project entry corresponding to FIFE experiments within the Fermilab VO. Kenneth Herner Fermilab N/A High Energy Physics 9 Fermilab https://osg-htc.org/iid/ik4s3ql8u1j7 40.08 1297859754 FIU_Bobadilla We are creating a large repository for simulation data, and we want to provide our colleagues with options to run model calculations whose outcomes would be stored in our repository. Leonardo Bobadilla Florida International University Computing and Information Sciences Computer and Information Science and Engineering https://osg-htc.org/iid/gyqnlof5dslq 11.0101 1777853614 FIU_DCunha To implement a reconfigurable compute environment, RAPTOR proposes to adopt the Chameleon Cloud Infrastructure for on-demand resource allocation, and the Open Science Grid (OSG) Cassian D’Cunha Florida International University Department of Information Technology NSF RAPTOR Project / Computer and Information Systems 14 OSG Connect https://osg-htc.org/iid/gyqnlof5dslq 11 871498985 FIU_Fierst Research in the Fierst lab focuses around computational approaches to studying evolution of the genome in different organisms. We study how life is organized, structured, and changes and how we can use theory, computational models and bioinformatic analyses to understand it. https://case.fiu.edu/about/directory/profiles/fierst-janna.html; https://jfierst9.wixsite.com/my-site-1 Janna Fierst Florida International University Biological Sciences Biological and Biomedical Sciences https://osg-htc.org/iid/gyqnlof5dslq 26.9999 902788060 FIU_Guo My research in experimental nuclear physics requires large amounts of simulations. These simulations are independent of one another and the OSPool is very well suited for these tasks. Access to the OSG computing resources would be a useful asset for my research. Lei Guo Florida International University College of Arts and Science Physics https://osg-htc.org/iid/gyqnlof5dslq 40.08 749062086 FIU_Hamid https://fphlm.cs.fiu.edu/ Shahid Hamid Florida International University IHRC Ocean Sciences and Marine Sciences 14 OSG Connect https://osg-htc.org/iid/gyqnlof5dslq 30.3201b 741135462 FIU_Jha Our research group focuses on artificial intelligence with an emphasis on creating explainable AI models. Sumit Kumar Jha Florida International University Knight Foundation School of Computing and Information Sciences Computer and Information Science and Engineering https://osg-htc.org/iid/gyqnlof5dslq 11.0101 147414184 FIU_Leon This research focuses on investigating the impact of urban tree canopies and green infrastructure on microclimatic conditions, particularly in mitigating the Urban Heat Island (UHI) effect in tropical climates. Using Computational Fluid Dynamics (CFD) simulations in OpenFOAM, the study models heat transfer, airflow, and solar radiation distribution in urban environments with varying vegetation density. Environmental parameters such as air temperature, humidity, solar radiation, and wind speed are measured using on-site sensors, including HOBO light and weather sensors, to validate and calibrate the simulation results. The study specifically analyzes how tree crown structure, height, and leaf density affect local cooling potential, shading, and radiation absorption under different solar conditions. Radiation models like fvDOM with solarLoad integration and solarOpticalProperties are used to simulate the interaction between solar energy and vegetation. Results are used to inform urban planning and sustainable landscape design, providing evidence-based recommendations for green infrastructure strategies to improve thermal comfort and environmental quality in urban areas. Arturo Leon Florida International University Civil and Environmental Engineering Civil Engineering https://osg-htc.org/iid/gyqnlof5dslq 14.0899b 2060199812 FIU_Li Vector biology and genomics Jun Li Florida International University Biology Biological Sciences https://osg-htc.org/iid/gyqnlof5dslq 26.0101 870622391 FIU_Obeysekera We conduct research on sea level variability using AI/ML methods with a range of contributing factors based on tide gauges and satellites and model based reanalysis data. Also, we analyze both global and regional climate model outputs to understand future conditions and their impacts on urban and natural environments. Jayantha Obeysekera Florida International University Sea Level Solutions Center, Institute of Environment Atmospheric Sciences https://osg-htc.org/iid/gyqnlof5dslq 40.0401 553220193 FNAL_Hoeche Sherpa is a Monte Carlo event generator for the Simulation of High-Energy Reactions of PArticles in lepton-lepton, lepton-photon, photon-photon, lepton-hadron and hadron-hadron collisions. Simulation programs - also dubbed event generators - are indispensable computational tools for particle physics phenomenology and are the interface between theory and experiment. Stefan Hoeche Fermilab Fermilab Theory Division Physics 14 OSG Connect https://osg-htc.org/iid/ik4s3ql8u1j7 40.08 967708798 FNAL_Singh Numerical studies of strongly coupled quantum field theories, relevant for high-energy physics, using Monte Carlo and tensor network methods -- with a particular focus on realtime dynamics such as scattering processes and other nonequilibrium phenomenon. Hersh Singh Fermi National Accelerator Laboratory Quantum Theory Physics https://osg-htc.org/iid/ik4s3ql8u1j7 40.0801 365 FRISpoilageProject We are using the Mothur pipeline to clean and analyze 16S rRNA gene sequences collected from sous vide vegetables that were held under refrigeration until the onset of spoilage. (Goal- To identify microorganisms responsible for spoilage in sous vide processed vegetables) Chuck Kaspar University of Wisconsin–Madison Microbiology Microbiology 14 OSG Connect https://osg-htc.org/iid/fq8thqsj99zh 26.05 706 FSU_Kolberg Search for Higgs boson decays to long-lived scalar particles Ted Kolberg Florida State University Physics Physics 14 OSG Connect https://osg-htc.org/iid/0yddmgnh2xl5 40.08 97362231 FSU_RCC The Research Computing Center at Florida State University enables research and education by maintaining a diverse campus cyberinfrastructure Paul van der Mark Florida State University Research Computing Center Research Computing 14 OSG Connect https://osg-htc.org/iid/0yddmgnh2xl5 11.9999 797 Fairfield_Kubasik I seek to perform molecular dynamics simulations using Gromacs. Specifically, I seek to run trajectories of short peptide molecules in various solvents in order to compute infrared spectra and configurational free energy differences. Matthew Kubasik Fairfield Department of Chemistry & Biochemistry Chemistry 14 OSG Connect https://osg-htc.org/iid/j7cdzoql3356 40.05 486 Fermilab Project entry corresponding to Fermilab VO. Lisa Goodenough Fermilab N/A High Energy Physics 9 Fermilab https://osg-htc.org/iid/ik4s3ql8u1j7 40.0804 654 Flightworthy HTCondor development activities Miron Livny University of Wisconsin–Madison Computer Science Computer Science 14 OSG Connect https://osg-htc.org/iid/fq8thqsj99zh 11.07 464 Fluka FLUKA Monte Carlo calculations Sunil Chitra Brookhaven National Laboratory Physics Physics 14 OSG Connect https://osg-htc.org/iid/g29k1hhqys0y 40.08 1059199652 FranklinMarshall_Brooks Franklin & Marshall College in Lancaster, Pennsylvania, is a small liberal arts college with a little over 1,800 students and just two full-time IT staff dedicated to helping research faculty. Looking for ways to assist research staff—as well as making them self-sufficient—was paramount given the limited staff. Jason Brooks Franklin & Marshall College Research Computing Services Computer and Information Science and Engineering https://osg-htc.org/iid/vfr5kfa0m5vm 11.0701 177 FutureColliders Studies of physics potential of future high-energy experiments (VLHC, FCC) with performance significantly beyond the Large Hadron Collider. The project will focus on Monte Carlo simulations for future energy fronter at DOE Sergei Chekanov Argonne National Laboratory High Energy Physics High Energy Physics 14 OSG Connect https://osg-htc.org/iid/26xdp9lwzmhd 40.0804 159747929 GATech_2025_McDaniel High-throughput molecular dynamics (MD) simulations for a variety of applications (rocket propellants, battery electrolytes, water purification materials). Jesse McDaniel Georgia Institute of Technology Mathematical and Physical Sciences Molecular and Structural Biosciences https://osg-htc.org/iid/uvf22j6xjbtv 14.0702 706960238 GATech_Banerjee Developing deep reinforcement learning approaches to learn optimal control strategies for driving microbial populations to desired physiological states. This research has applications to preventing resistance development in bacteria and cancer. Shiladitya Banerjee Georgia Institute of Technology School of Physics Biological and Biomedical Sciences https://osg-htc.org/iid/uvf22j6xjbtv 26.9999 657 GATech_Brown Brain imaging to understand memory and spatial navigation Thackery Brown Georgia Institute of Technology Psychology Neuroscience 14 OSG Connect https://osg-htc.org/iid/uvf22j6xjbtv 26.15 1670816791 GATech_Bryngelson https://mflowcode.github.io/ Multiphase and Multiphysics Flow Code Capable of Performing High-Fidelity Simulations for Variety of Applications: Aerodynamics, Magnetohydrodynamics, Flow Instabilities, etc. Spencer Bryngelson Georgia Institute of Technology School of Computational Science and Engineering Engineering https://osg-htc.org/iid/uvf22j6xjbtv 14.1101b 438261227 GATech_Cadonati Gravitational Wave Astrophysics, working on running unmodelled reconstruction of signals and tests of general relativity. Laura Cadonati Georgia Institute of Technology Physics Astrophysics https://osg-htc.org/iid/uvf22j6xjbtv 40.0202 595 GATech_Chau Attention Shift Visualization Polo Chau Georgia Institute of Technology Computer Science and Engineering Computer Science 14 OSG Connect https://osg-htc.org/iid/uvf22j6xjbtv 11.07 782903564 GATech_Coogan We are attempting to run a simulation for Georgia Tech's Robotarium on our website when users upload run files. Our simulator is based on https://github.com/robotarium/robotarium_python_simulator , with edits to certain functions. Samuel Coogan Georgia Institute of Technology Electrical and Computer Engineering Electrical, Electronic, and Communications 14 OSG Connect https://osg-htc.org/iid/uvf22j6xjbtv 15.0405 619962250 GATech_Jezghani Free neutron and nuclear isotope beta decay is a sensitive test of the Standard Model and probe for BSM physics that complements high-energy efforts such as those at the LHC. Precision efforts such as the Nab experiment at ORNL rely on high-statistics simulations to constrain error. More details can be seen at https://nab.phys.virginia.edu. Aaron Jezghani Georgia Institute of Technology PACE Physics 14 OSG Connect https://osg-htc.org/iid/uvf22j6xjbtv 40.0806 570977624 GATech_Lang Use a 3D thermal model to invert thermochronometer data for constraining the subsurface orientation and slip history of faults, exhumation of landscapes and sedimentation of basins. Karl Lang Georgia Institute of Technology EAS Earth Science 14 OSG Connect https://osg-htc.org/iid/uvf22j6xjbtv 40 628648595 GATech_Otte We working on a neutrino telescope called the Trinity Demonstrator. We are in search of Tau Neutrinos at PeV-EeV to look for neutrino sources from extragalactic sources. https://trinity.physics.gatech.edu/the-demonstrator/ Nepomuk Otte Georgia Institute of Technology School of Physics, CRA Astrophysics https://osg-htc.org/iid/uvf22j6xjbtv 40.0202 775 GATech_PACE Partnership for an Advanced Computing Environment (PACE) provides faculty participants a sustainable leading-edge high performance computing (HPC) infrastructure with technical support services. Ruben Lara Georgia Institute of Technology PACE Computer Science 14 OSG Connect https://osg-htc.org/iid/uvf22j6xjbtv 11.0701b 1316098950 GATech_Ramprasad Develop and apply computational and machine learning tools to accelerate materials discovery. More information can be found here: https://ramprasad.mse.gatech.edu/ Rampi Ramprasad Georgia Institute of Technology Material Science Materials Science https://osg-htc.org/iid/uvf22j6xjbtv 14.1801b 595 GATech_Randall Self Organizing Particle Systems Dana Randall Georgia Institute of Technology Computer Science Computer Science 14 OSG Connect https://osg-htc.org/iid/uvf22j6xjbtv 11.07 798 GATech_Ross Facilitation for GATech H. Milton Stewart School of Industrial and Systems Engineering Kelly Ross Georgia Institute of Technology School of Industrial and Systems Engineering Industrial and Manufacturing Engineering 14 OSG Connect https://osg-htc.org/iid/uvf22j6xjbtv 14 848 GATech_Sholl Atomically-detailed simulation methods (e.g. Molecular Dynamics, Monte Carlo and quantum chemistry methods) are used to develop models of molecular separations based on adsorption in structured nanoporous materials. These materials include zeolites, metal-organic framework materials, activated carbons and polymers. A long-term goal is the discovery of new adsorbent materials for a diverse range of chemical separations, a problem for which a very large search space exists. David Sholl Georgia Institute of Technology Chemical & Biomolecular Engineering Chemistry 14 OSG Connect https://osg-htc.org/iid/uvf22j6xjbtv 14.0702 707 GATech_Taboada IceCube neutrino sources search Ignacio Taboada Georgia Institute of Technology Physics Physics 14 OSG Connect https://osg-htc.org/iid/uvf22j6xjbtv 40.08 871308901 GLOW HTC jobs flocking to the OSPool from CHTC Miron Livny University of Wisconsin–Madison CHTC Computer Sciences https://osg-htc.org/iid/fq8thqsj99zh 30.3001 405 GLUEX GlueX project Kurt Strosahl Jefferson Lab Physics Nuclear Physics 99 JLab https://osg-htc.org/iid/hlz41oydapzn 40.0806 481 GPCRbinders Computational design of protein-based affinity reagents capable of binding to GPCRs and inducing an agonized or antagonize state, or binding in a function-independent manner. Christopher Bahl Institute for Protein Innovation Biology Biological Sciences 14 OSG Connect https://osg-htc.org/iid/ea601omjb65w 26 977036130 GPN GPN regional workflow development efforts to encourage new projects. James Deaton Great Plains Network Research Computing Multidisciplinary 14 OSG Connect https://osg-htc.org/iid/ssmtibyuojo6 30 574 GRAPLEr The GLEON Research And PRAGMA Lake Expedition (GRAPLE) is a collaborative effort between computer science and lake ecology researchers. It aims to improve our understanding and predictive capacity of the threats to the water quality of our freshwater resources, including climate change. GRAPLEr is a distributed computing system used to address the modeling needs of GRAPLE researchers. GRAPLEr integrates and applies overlay virtual network, high-throughput computing, and Web service technologies in a novel way. First, its user-level IP-over-P2P (IPOP) overlay network allows compute and storage resources distributed across independently-administered institutions (including private and public clouds) to be aggregated into a common virtual network, despite the presence of firewalls and network address translators. Second, resources aggregated by the IPOP virtual network run unmodified high-throughput computing middleware (HTCondor) to enable large numbers of model simulations to be executed concurrently across the distributed computing resources. Third, a Web service interface allows end users to submit job requests to the system using client libraries that integrate with the R statistical computing environment. Shava Smallen Pacific Rim Application and Grid Middleware Assembly (PRAGMA) N/A Ecological and Environmental Sciences 14 OSG Connect https://osg-htc.org/iid/06wup3aye2t7 51.2202 102 GRASP Atomic structure calculations based on multiconfiguration Dirac–Hartree–Fock theory utilizing Grasp2k, a general-purpose relativistic atomic structure package. Richard Irving University of Toledo Physics Physics and astronomy 14 OSG Connect https://osg-htc.org/iid/f697s61oo78e 40.1101 451 GRScorrelation We calculate the autocorrelation merit factors for Golay-Shapiro-Rudin-like sequences and the crosscorrelation merit factors for pairs of such sequences. Each of the 2^n seed sequences of length n gives rise to an infinite family of sequences, and we have asymptotic formulas (see our preprint at arXiv: 1702.07697 [math.NT]) for the merit factors based on calculations involving only the seeds. The number of seeds grows exponentially, thus making this a project that is well-suited to distributed computing. We would like to extend Table 2 of our paper (minimum combined measure of autocorrelation and crosscorrelation, unconstrained search) to seeds of length 28. And we would like to extend Tables 1 and 3 of our paper (minimum autocorrelation and minimum combined measure among those sequences of minimum autocorrelation) to seeds of length 52, because we have a conjectue that something interesting may happen at length 52. We expect that the extension of T! ables 1 and 3 will require about 130,000 runs, each of which would take about an hour each on a single thread of a typical workstation. And we expect that the extension of Table 2 will require about 45,000 runs taking about 45 minutes each in a similar situation. Daniel J. Katz California State University, Northridge Mathematics Mathematical Sciences 14 OSG Connect https://osg-htc.org/iid/vfjpi4twqspj 27 181412983 GSU_ARCTIC https://arctic.gsu.edu/ Suranga Edirisinghe Georgia State University Advanced Research Computing Technology and Innovation Core Research Computing https://osg-htc.org/iid/ybl3snr9pbs1 11.9999 637 GSU_Wang Measuring Corporate Cybercrime Risk David Maimon Georgia State University Institute for Insight Business 14 OSG Connect https://osg-htc.org/iid/ybl3snr9pbs1 52 344 GTConvertHTC help GT researchers convert their existing projects into HTC workloads Mehmet Belgin Georgia Institute of Technology Advanced Research Computing Multi-Science Community 14 OSG Connect https://osg-htc.org/iid/uvf22j6xjbtv 30 852770785 GWU_Crandall Our study aims to elucidate the differences in the gut microbiome functional activity and metabolome in adult premenopausal women with distinctive fitness levels and BMIs (with obesity, w/o obesity). The specific aims are as follows - Aim 1 - To examine the effects of acute aerobic exercise at 60-70% heart rate reserve (HRRmax) for 30 minutes bout on changes in the abundance of SCFA-producing bacteria and their functional downstream metabolic activity. Aim 2 - To examine the effects of acute aerobic exercise at 60-70% HRRmax 30-minute bout on changes in GM-released SCFA concentrations in stool and plasmatic metabolome. Keith Crandall George Washington University Department of Biostatistics and Bioinformatics Biological and Biomedical Sciences https://osg-htc.org/iid/67icxo2r0nw7 26.9999 703 GWU_OTSStaff The Columbian College Office of Technology Services (OTS) is the primary technology services provider for the Columbian College of Arts and Sciences. OTS implements technology strategy, policies, and operational procedures in support of the College's instructional, research, and administrative functions. Serving a total user population of 9,000 constituents spread across five campuses, OTS strives to provide fast, reliable, and efficient service. https://ots.columbian.gwu.edu/ Janis Nicholas George Washington University Office of Technology Services Computer and Information Sciences 14 OSG Connect https://osg-htc.org/iid/67icxo2r0nw7 11.0701b 792 GWU_Orti Evolutionary biology of fishes. Application of genome-wide exon markers to infer fish phylogenies, based on target capture approaches and next-gen sequencing. Guillermo Orti George Washington University Department of Biological Sciences Life Sciences. Other Sciences 14 OSG Connect https://osg-htc.org/iid/67icxo2r0nw7 26.1303 640 GWU_TikidjiHamburyan We are interested in mechanisms of establishing connectivity in the brain during the critical pre- and postnatal periods. The main focus of this project is on non-linear dynamics in growing networks. Ruben Tikidji-Hamburyan George Washington University School of Medicine and Health Sciences Biological Sciences 14 OSG Connect https://osg-htc.org/iid/67icxo2r0nw7 26 438 GanForAuto Test Case Generation For ADAS Validation Via Cycle GAN Today’s automobile is equipped with a large amount of electronic circuits to achieve intelligent functions, such as collision avoidance, traffic sign detection, etc., for autonomous driving. To meet the safety standard, ensuring extremely small failure probability over all possible operation conditions is one of the critical tasks for an autonomous driving system. However, physically observing all these corner cases over a long time is almost impossible in practice. In this project, we use machine learning algorithms to efficiently generate corner cases that are not easy to observe. Xin Li Duke University Electrical and Computer Engineering Engineering 14 OSG Connect https://osg-htc.org/iid/v0pbd5jfz81s 14 590554354 Gateway_DistribMedicalAI Developing a job submission template for common medical AI imaging applications. Hieu Nguyen Rowan University Mathematics Medical Imaging 14 OSG Connect https://osg-htc.org/iid/oya34s2ysser 51 527473273 GeneticsHittinger http://hittinger.genetics.wisc.edu Chris Todd Hittinger University of Wisconsin–Madison Genomics & Genetics Biological Sciences https://osg-htc.org/iid/fq8thqsj99zh 26.1303 660989852 GeneticsPool https://genetics.wisc.edu/staff/pool-john/ John Pool University of Wisconsin–Madison Genomics & Genetics Biological Sciences https://osg-htc.org/iid/fq8thqsj99zh 26.1306 1930165944 Genetics_Payseur https://payseur.genetics.wisc.edu/ Bret Payseur University of Wisconsin–Madison Genomics & Genetics Biological Sciences https://osg-htc.org/iid/fq8thqsj99zh 26.1303 484693377 Genetics_Werling The Werling Lab in the Laboratory of Genetics at the University of Wisconsin-Madison is focused on understanding the roles of genetic variation and sex-differential biology on brain development and risk for neurodevelopmental conditions such as autism spectrum disorder. Donna Werling University of Wisconsin–Madison Genetics Genetics and Nucleic Acids https://osg-htc.org/iid/fq8thqsj99zh 26.0806 131 Genie Generates Events for Neutrino Interaction Experiments(GENIE) is a universal object-oriented neutrino MC generator supported and developed by an international collaboration of scientists whose expertise covers a very broad range of neutrino physics aspects, both phenomenological and experimental. GENIE is currently being used by T2K, NOvA, MINERvA, MicroBooNE, ArgoNEUT, LAGUNA-LBNO, LBNE, INO, IceCUBE, NESSiE and others. Gabriel Nathan Perdue Fermilab Scientific Computing Simulation High Energy Physics 9 Fermilab https://osg-htc.org/iid/ik4s3ql8u1j7 40.08 161 GenomicIntegration Integration of publicly available large-scale genomic data. Casey Greene Dartmouth College Genetics Bioinformatics 14 OSG Connect https://osg-htc.org/iid/ay2n55g6y1cq 26.1103 341 GeoTunnel Analyzing muon data to obtain information about the objects they traversed. Elena Guardincerri Los Alamos National Lab Physics Nuclear Physics 14 OSG Connect https://osg-htc.org/iid/p3r6zb1vwk63 40.0806 1326070552 Georgetown_Joshi We investigate how biomolecular interactions determine whether misfolded proteins become pathological aggregates or functional biomaterials, bridging neurodegenerative disease mechanisms with bio-inspired materials design (Lab webpage: www.joshilab.org) Priyanka Joshi Georgetown University Georgetown University Medical Center Biological and Biomedical Sciences https://osg-htc.org/iid/9s3b7k15z32k 26.9999 1504838294 Geoscience_Zoet Understanding the physics of glacier motion through field observation, laboratory experiments, numerical modeling, and theoretical analysis Lucas Zoet University of Wisconsin–Madison Department of Geoscience Geological and Earth Sciences https://osg-htc.org/iid/fq8thqsj99zh 40.0699 23 GlassySystems Studies of static and dynamic properties of glassy systems. See also: http://www.columbia.edu/cu/chemistry/groups/reichman/ The dynamics and static properties of glassy systems can be studied in great detail by simple model systems, either those on a lattice or those consisting of mixtures of spherical particles. In order to do that, one can use any many techniques generally under the umbrella of Monte Carlo Sampling or Molecular Dynamics. In order to get detailed properties, is is often advantageous or necessary to run a large number of independent simulations, and to calculate properties averaged over these simulations. It may also be necessary to study these systems with a range of parameter values, e.g. temperature or system size. Hence, this problem lends itself well to high throughput computing, at least for cases where the individual simulations comprising a workflow are not too long. David Reichman Columbia University Chemistry Chemistry 14 OSG Connect https://osg-htc.org/iid/avy4x5r4jsrw 40.05 508 GlobalDH Test a tool to deal with global data sets. Kang Wang University of Colorado Boulder INSTAAR Earth Sciences 14 OSG Connect https://osg-htc.org/iid/gpeckuwpdnrs 40.0601 197274575 GregsCookies Test project for the PATh team. Miron Livny University of Wisconsin–Madison Computer Sciences Computer Science https://osg-htc.org/iid/fq8thqsj99zh 11.0701b 383 Groundhog Define spatio-temporal High Gamma activity patterns in the human neocortex during waking, and compare them to the observed activity in preceding/subsequent sleeps to see whether specific waking patterns recur during sleep. Eric Halgren University of California, San Diego School of Medicine Neuroscience 14 OSG Connect https://osg-htc.org/iid/06wup3aye2t7 26.15 651 Guam_Bentlage Marine science bioinformatics - analyzing phylogenetic trees, blasting sequences, read mapping Bastian Bentlage University of Guam Marine Laboratory Biological Sciences 14 OSG Connect https://osg-htc.org/iid/pe5ponomqp4t 26 463 HASHA Program uses NCBI’s Entrez.efetch on the nucleotide database to take in large number of sequences and searches the sequences for palindromes ranging in size from 4 to 20 and appends the results to a list. The program then takes each palindrome and checks for its occurrence on the 11 genes of the influenza A virus’s and outputs every match of the palindrome with relevant sequence Information. Brian Cheda Arcadia University Biology Bioinformatics 14 OSG Connect https://osg-htc.org/iid/c6ehbi2dyh8h 26.1103 499 HCBData The project aims to achieve explainable machine learning (ML) through the integration of structured semantic data with the inputs, outputs and hidden layers of deep learning systems. The proliferation of explicitly structured semantic data has occurred in parallel with the emergence of powerful ML algorithms, particularly deep neural networks (DNNs), whose internal layers encode information implicitly. This research attempts to bridge the gap between explicit, easy-to-understand semantic information and implicit, difficult-to-understand features of a deep learning system to achieve transparency and trust in an algorithm's reasoning across multiple layers. Brad Minnery Wright State Research Institute Wright State Research Institute Computer and Information Science and Engineering 14 OSG Connect https://osg-htc.org/iid/thy4rviykeph 11 363 HCCLocalSubmit Jobs from our clusters that flock to the OSG Derek Weitzel University of Nebraska Holland Computing Center Community Grid 67 HCC https://osg-htc.org/iid/q9k1b8dfrw25 30.3001 11780412 HCC_staff Cyberinfrastructure Research Adam Caprez University of Nebraska\u2013Lincoln Holland Computing Center Computer Science https://osg-htc.org/iid/q9k1b8dfrw25 11.0701b 64 HL-LHC-TP Simulate hundreds of millions of high-energy proton proton collisions, which mimic the collisions expected at a potential High Luminosity LHC. This simulated data will be used to assess the performance of potential CMS detector upgrades, for inclusion in a Technical Proposal. Meenakshi Narain Brown University Physics High Energy Physics 30 OSG https://osg-htc.org/iid/0ytxfy0n4hol 40.08 1146033826 HMC_Castillo My group uses spectroscopy to understand intermolecular interactions; that is, the way two molecules “touch” one another. These interactions are of importance in understanding a wide range of chemically relevant processes, including solvation effects, molecular recognition, and molecular aggregation. To characterize these interactions, we record ground and excited state spectra in the gas phase. We then use quantum chemical calculations and computational simulations to understand our spectra. Alicia Hernandez-Castillo Harvey Mudd College Chemistry Chemistry https://osg-htc.org/iid/7dufyxnmcokx 40.0501 691 HPS Jefferson Lab's Heavy Photon Search project Thomas Britton Jefferson Lab Physics Nuclear Physics 99 JLab https://osg-htc.org/iid/hlz41oydapzn 40.0806 421 HRRRMining I have archived about 30TB (and growing) of output from NOAA's operational High Resolution Rapid Refresh model on an object storage archive system at Utah's Center for High Performance Computing. The challenge is to mine data from such a large data set. Open Science Grid may be a solution for processing this voluminous data set, if questions and data mining objectives can be broken into serial tasks. Brian Blaylock University of Utah Atmospheric Sciences Earth Sciences 14 OSG Connect https://osg-htc.org/iid/iwlonrroeaal 40.06 67 HTCC This project will be used for the OSG AHM HTC Challenge. It may also be the home of future challenges. Rob Quick Indiana University Research Technologies Community Grid 30 OSG https://osg-htc.org/iid/uws6kivcttuc 30.3001 1789055683 Hamilton_Chen Research focuses on protein structure prediction and termination with deep learning. Xiao Chen Hamilton College Computer Science Biological and Biomedical Sciences https://osg-htc.org/iid/0rovxfragej9 26.9999 1646313207 Harrisburg_Bellur This research proposes a Lightweight Modular Real-Time Weapon Detection Framework to improve weapon detection in crowded, dynamic environments by combining contextual frame filtering, people detection, and small object detection using advanced deep learning models. The framework focuses on reducing computational load while maintaining high detection precision, leveraging lightweight CNNs and Vision Transformers optimized for real-time edge deployment. By addressing challenges such as occlusion, crowd density, and small object detection, the study aims to significantly advance AI-driven surveillance systems for enhanced public safety. Srikar Bellur Harrisburg University of Science and Technology Data Sciences Computer and Information Services https://osg-htc.org/iid/6l8t5d2hv9ay 11.0101 468952270 Harrisburg_Jordan The research is exploring the use of text classification algorithms to identify and mitigate inappropriate behavior in Twitch micro-communities, with a focus on developing more nuanced and context-aware moderation tools. By combining linguistic analysis with Social Identity theory, the study aims to create dynamic, community specific language models that can adapt to the unique norms and linguistic patterns of different online groups. Kayden Jordan Harrisburg University of Science and Technology Data Science Computer and Information Science and Engineering https://osg-htc.org/iid/6l8t5d2hv9ay 11.0101 1692514246 Harrisburg_Syal Working on small projects and showcasing OSpool and helping reachers and faculty at HU. Aditya Syal Harrisburg University of Science and Technology Computer Science Computer Science https://osg-htc.org/iid/6l8t5d2hv9ay 11.0101 1943110303 Harvard_Aganj https://reporter.nih.gov/project-details/11026499 Using magnetic resonance imaging techniques, we will define both vulnerable and resilient brain networks involved in aging, Alzheimer’s disease, and Parkinson’s disease, and uncover new imaging biomarkers to improve diagnosis and treatment. Normal aging, as well as occurrence of neurodegenerative diseases, can be better understood by mapping complex structural and functional brain networks through which information flows, and via the discovery of important biomarkers that shed light on aging and neurodegenerative disease. Iman Aganj Harvard University Radiology Biomedical research https://osg-htc.org/iid/n1kbnzl7kyiv 14.0501 394949170 Harvard_Delgado The Tau Air-shower Mountain Based Observatory, TAMBO, is a valley-based experiment dedicated to detecting Earth-skimming ultra-high-energy astrophysical tau neutrinos. TAMBO functions by observing extensive air showers from tau leptons, produced by astrophysical tau neutrinos, that have sufficient energy to emerge from rock and decay in air. Simulating these extensive air showers is critical to optimizing our experiment and requires significant compute time and resources. https://arxiv.org/abs/2507.08070. Carlos Delgado Harvard University Physics Department Astronomy and Astrophysics https://osg-htc.org/iid/n1kbnzl7kyiv 40.0299 1470146509 Harvard_Fox Computational analysis of functional neuroimaging data to identify brain circuits and potential therapeutic stimulation targets. Michael Fox Harvard University Center for Brain Circuit Therapeutics / Neurology Biological and Biomedical Sciences 14 OSG Connect https://osg-htc.org/iid/n1kbnzl7kyiv 26.0102 1860337492 Harvard_Iacus The Geography of Human Flourishing research project aims to analyze Harvard’s archive of 10 billion geolocated tweets (spanning from 2010 to mid-2023) through the lens of the six dimensions of human flourishing defined by the Global Flourishing Study (GFS) [Happiness and life satisfaction; Mental and physical health; Meaning and purpose; Character and virtue; Close social relationships; Material and financial stability]. Using fine-tuned large language models (LLMs), the project extracts 46 indicators aligned with these six domains, generating high-resolution spatio-temporal datasets. The initiative also develops interactive tools to visualize and analyze these patterns across space and time. Stefano Iacus Harvard University Institute for Quantitative Social Science Political Science and Government, General https://osg-htc.org/iid/n1kbnzl7kyiv 45.1001 2047719543 Harvard_Lin Currently we are lacking objective measures of chronic pain. We can ask for it, but cannot accurately measure it. This inevitably leads to heterogeneity in study populations. We try to use MRI to define objective biomarkers of the pain experience. Alexander Lin Harvard University Department of Radiology Biological and Biomedical Sciences https://osg-htc.org/iid/n1kbnzl7kyiv 26.9999 879177872 Harvard_Weerasekera Processing of MRI structural images of 20 cannabis smokers and one 22 controls to see brain structural differences. Akila Weerasekera Harvard University McLean Imaging Center Neuroscience https://osg-htc.org/iid/n1kbnzl7kyiv 26.1502 929615245 Harvard_Wofsy The goal is to measure methane emissions from major source regions in the US, in order to facilitate reduction of these emissions. Steven Wofsy Harvard University Department of Earth and Planetary Sciences Atmospheric Sciences 14 OSG Connect https://osg-htc.org/iid/n1kbnzl7kyiv 40.04 1280876331 Hawaii_Barnes Mergers transform spiral galaxies into bizarre objects which eventually settle down as elliptical galaxies. We observe merging galaxies in different stages of this billion-year process. I use computers to simulate galactic collisions, reproducing the shapes of galaxy mergers, to understand how mergers transform the galaxies around us. https://home.ifa.hawaii.edu/users/barnes/ Joshua Barnes University of Hawaiʻi at Mānoa Institute for Astronomy Astronomy https://osg-htc.org/iid/34mcskejwysy 40.0201 271007651 Hawaii_Dodds We experimentally develop efficient means of distribution to federated national cyberinfrastructure (CI) platforms of Hawaii astronomy big data sets. We will demonstrate use of these data sets with OSG and other CI platforms using SOTA AI/ML research methods applied to astronomy and astrophysics research questions. We hope to publish a collection of canonical ML models that work efficiently with these astronomy big data sets utilizing national, regional and campus CI resources. Stanley Dodds University of Hawaii at Manoa Institute for Astronomy Computer and Information Sciences 14 OSG Connect https://osg-htc.org/iid/34mcskejwysy 11 580 Hawaii_Doetinchem This project intends to simulate the production of anti-helium-3 and anti-helium-4 in proton-proton collisions at different cosmic-ray energies. This is done by using the EPOS-LHC hadronic model and applying an energy-dependent coalescence afterburner. Philip von Doetinchem University of Hawaii at Manoa Physics and Astronomy Physics 14 OSG Connect https://osg-htc.org/iid/34mcskejwysy 40.08 603 Hawaii_Gorham Monte Carlo simulations for The Antarctic Impulsive Transient Antenna (ANITA) project. ANITA is a NASA-funded long-duration stratospheric balloon experiment designed to detect ultra-high energy neutrinos and cosmic rays through wideband radio emission from particle showers in the ice and atmosphere. Peter W. Gorham University of Hawaii at Manoa Astrophysics Computer and Information Services 14 OSG Connect https://osg-htc.org/iid/34mcskejwysy 11.01 1298427260 Hawaii_Oleson This research is seeking to building and maintaining natural capital accounts in Hawaiʻi. We compile UN SEEA EA ecosystem extent and condition accounts, and study ecosystem services such as potential supply of groundwater (recharge), and cultural services. https://olesonlab.org/ Kristen Oleson University of Hawaiʻi at Mānoa Natural Resources & Environmental Management Multidisciplinary https://osg-htc.org/iid/34mcskejwysy 03.0204 1200788188 Hawaii_Sun We study solar and stellar physical processes driven by magnetic field dynamics with various numerical models and observational data analysis. We are also involved in understanding the cyclic variation of the large-scale heliospheric magnetic field. Xudong Sun University of Hawaiʻi at Mānoa Institute of Astronomy Astronomy and Astrophysics https://osg-htc.org/iid/34mcskejwysy 40.0201 358 HealthInformatics My research focuses on detecting patterns in physiological data of patients in an Intensive Care Unit setting, with the aim of constructing an early warning system. The approach I am taking includes machine learning algorithms such as Artificial Neural Networks, Hidden Markov Models, and Support Vector Machines. I presently have limited computational resources for which to conduct this research. The data I am using for training and validation is both static and time based information on 32,000 patients and includes approximately 30GB of raw data. Additionally I have extremely high resolution data on 2,600 patient. The search-space is prohibitively large for a single computer and even some of the smaller clusters. I am employing an optimization methodology which allows for a differential evolution approach to incrementally improve a structurally adaptive model. The methodology allows for parallel programming which is of course a necessity for distributed computing. Karl Jablonowski University of Washington Biomedical and Health Informatics Bioinformatics 14 OSG Connect https://osg-htc.org/iid/8lpmoeouw66o 26.1103 77341524 HepSim HepSim is a public repository with Monte Carlo simulations for particle-collision experiments. It contains predictions from leading-order (LO) parton shower models, next-to-leading order (NLO) and NLO with matched parton showers. It also includes Monte Carlo events after fast ("parametric") and full (Geant4) detector simulations and event reconstruction. Robert Gardner University of Chicago US ATLAS High Energy Physics https://osg-htc.org/iid/o14joi278jrs 40.0804 370645201 Howard_Parry The thrust of this project is to obtain a functional, structural and mechanistic understanding of iron transport and systemwide homeostasis. Christian Parry Howard University Microbiology Biophysics https://osg-htc.org/iid/6flk2zw30csu 26.0203 145 HypergraphDegreeSeq A degree sequence of a hypergraph is a list of numbers that gives the total number of edges each vertex is in and multiple hypergraphs can have the same degree sequence. I'm trying to determine a minimal set of moves that connects all of the realizations. I need to use parallel programming as there are many degree sequences to investigate. Sarah Lynne Behrens University of Nebraska\u2013Lincoln Mathematics Mathematical Sciences 67 HCC https://osg-htc.org/iid/q9k1b8dfrw25 27 1208637247 IAState_Huang Development of algorithms and software for bioinformatics. https://faculty.sites.iastate.edu/xqhuang/ Xiaoqiu Huang Iowa State University Computer Sciences Computer Science https://osg-htc.org/iid/wbwnw037cybm 11.0701 761 IAState_ITStaff Test accounts for Research IT staff at Iowa State James Coyle Iowa State University High Performance Computing Computer Sciences 14 OSG Connect https://osg-htc.org/iid/wbwnw037cybm 11.0701a 1714759050 IAState_Iadecola Structure and nonequilibrium dynamics of disordered quantum many-body systems. Thomas Iadecola Iowa State University Physics and Astronomy Physics 14 OSG Connect https://osg-htc.org/iid/wbwnw037cybm 40.08 2018291549 IAState_Islam Research is focused on ultrasonic Nondestructive Evaluation (NDE) techniques to characterize microstructure of materials. Showmic Islam Iowa State University Center for Nondestructive Evaluation Engineering https://osg-htc.org/iid/wbwnw037cybm 14.1901 972815882 IATTC_Bi This project develops spatiotemporal statistical models to estimate catch composition (species and size composition) in the eastern Pacific purse-seine fishery using observational datasets. The analyses support operational tuna stock assessments conducted by the Inter-American Tropical Tuna Commission (IATTC). https://www.iattc.org/en-US/research/program/Stock-program Rujia Bi Inter-American Tropical Tuna Commission Stock Assessment Program Ocean Sciences https://osg-htc.org/iid/hda01dk6u2ee 03.0301 312 IBN130001-Plus Child project of TG-IBN130001 Donald Krieger University of Pittsburgh Neurosurgery Neuroscience 13 OSG-XSEDE https://osg-htc.org/iid/2ayx10b74xua 26.15 593073645 IGWN_Staff IGWN staff James Clark Georgia Institute of Technology Physics Gravitational Physics https://osg-htc.org/iid/uvf22j6xjbtv 40.0202 418 IITPROSPECT Monte Carlo generation and data analysis for the PROSPECT experiment. Bryce Littlejohn Illinois Institute of Technology Physics High Energy Physics 14 OSG Connect https://osg-htc.org/iid/3jn3w1ccwxwd 40.08 796 IIT_Cheng Developing high order invariant and equivariant graph neural networks for solving problems in various domains Maggie Cheng Illinois Institute of Technology College of Computing Mathematics 14 OSG Connect https://osg-htc.org/iid/3jn3w1ccwxwd 27.01 1092373302 IIT_Kang Create new statistical learning methodologies and machine learning algorithms Lulu Kang Illinois Institute of Technology Applied Mathematics Data Science 14 OSG Connect https://osg-htc.org/iid/3jn3w1ccwxwd 30.7001 1478585217 IIT_Li Develop Lagrangian particle methods for moving interface problems in fluid mechanics and materials science; Develop Physical Informed Neural network (PINN) for Green function-based methods. Shuwang Li Illinois Institute of Technology Applied Mathematics Materials Science https://osg-htc.org/iid/3jn3w1ccwxwd 40.1001 387784568 IIT_Minh Computational scientists who focus on chemical biology, the interactions between small molecules and biological macromolecules. We develop and apply new methods that may be helpful for structure-based drug design. David Minh Illinois Institute of Technology Chemistry Biological and Biomedical Sciences https://osg-htc.org/iid/3jn3w1ccwxwd 26 362557967 IIT_Rosa Generating trajectories in high-dimensional parameter spaces using numerical continuation methods. The software repo is available here: https://github.com/nr-codes/BipedalGaitGeneration. Nelson Rosa Illinois Institute of Technology Mechanical, Materials, and Aerospace Engineering Deptartment Mechanical Engineering 14 OSG Connect https://osg-htc.org/iid/3jn3w1ccwxwd 14.1901b 312244166 IIT_Sultana Large-scale analysis of network data, as part of the Patchwork project (https://packetfilters.cs.iit.edu/patchwork/) Nik Sultana Illinois Institute of Technology Computer Science Computer Science https://osg-htc.org/iid/3jn3w1ccwxwd 11.0701 339717243 IIT_Wereszczynski https://wereszczynskilab.org/research/ Jeff Wereszczynski Illinois Institute of Technology Physics Biological and Biomedical Sciences 14 OSG Connect https://osg-htc.org/iid/3jn3w1ccwxwd 26 334465912 IIT_Zhong We conduct research on scientific machine learning, especially related to how machine learning can be used to learn and understand dynamical systems from observation data. Right now, we are developing models to understand synchronization, i.e. how oscillators can be put in sync with spatial patterns. Ming Zhong Illinois Institute of Technology Appleid Mathematics Appleid Mathematics 14 OSG Connect https://osg-htc.org/iid/3jn3w1ccwxwd 27.03 560 IRIS-CI Integrity Introspection for Scientific Workflows Anirban Mandal University of North Carolina, Chapel Hill Computer Science 14 OSG Connect https://osg-htc.org/iid/nhz3r9d0308l 11.07 336 IRRI Collaboration with the Rice3k IRRI project Mats Rynge University of Southern California ISI Bioinformatics 9 ISI https://osg-htc.org/iid/6edduwj65dlr 26.1103 2002238008 IU-PTI_Airavata Project for Airavata gateway deployments Rob Quick Indiana University Pervasive Technology Institute Computer and Information Sciences 14 OSG Connect https://osg-htc.org/iid/uws6kivcttuc 11 762 IU_Tang Exploring high-throughput mass spec analysis Haixu Tang Indiana University Informatics Biological Sciences 14 OSG Connect https://osg-htc.org/iid/uws6kivcttuc 26 371 IVSelection We could like to preform instruments selection in the IV model by Machine Learning technique, and estimated the structure parameters by GMM method. Hao Xu University of California, Riverside Econimics Economics 14 OSG Connect https://osg-htc.org/iid/zy99b9jjoqpb 45.0601 88 IceCube IceCube is the world's largest neutrino detector. It is located at the South Pole and includes a cubic kilometer of instrumented ice. IceCube searches for neutrinos from the most violent astrophysical sources: events like exploding stars, gamma ray bursts, and cataclysmic phenomena involving black holes and neutron stars. The IceCube telescope is a powerful tool to search for dark matter, and could reveal the new physical processes associated with the enigmatic origin of the highest energy particles in nature. In addition, exploring the background of neutrinos produced in the atmosphere, IceCube studies the neutrinos themselves; their energies far exceed those produced by accelerator beams. Francis Halzen University of Wisconsin–Madison Physics Astrophysics 14 OSG Connect https://osg-htc.org/iid/fq8thqsj99zh 40.0202 1942328054 IceCube_2022_Halzen IceCube is the world's largest neutrino detector. It is located at the South Pole and includes a cubic kilometer of instrumented ice. IceCube searches for neutrinos from the most violent astrophysical sources: events like exploding stars, gamma ray bursts, and cataclysmic phenomena involving black holes and neutron stars. The IceCube telescope is a powerful tool to search for dark matter, and could reveal the new physical processes associated with the enigmatic origin of the highest energy particles in nature. In addition, exploring the background of neutrinos produced in the atmosphere, IceCube studies the neutrinos themselves; their energies far exceed those produced by accelerator beams. Francis Halzen University of Wisconsin–Madison Physics Astrophysics 21 PATh Facility https://osg-htc.org/iid/fq8thqsj99zh 40.0202 37035824 Illinois_2022_Tsokaros Research includes general and numerical relativity, astrophysics, cosmology, and alternative theories of gravity. Antonios Tsokaros University of Illinois Urbana-Champaign Physics Astrophysics 21 PATh Facility https://osg-htc.org/iid/10izzs5e7v1r 40.0202 629646829 Illinois_Goyal Diverse set of projects focusing on vision models/LLMs primarily falling under the umbrella terms of "machine unlearning" and "human-AI alignment" Agam Goyal University of Illinois Urbana-Champaign Computer Science Computer Science https://osg-htc.org/iid/10izzs5e7v1r 11.0701 505754276 Illinois_2024_Gammie This project involves black holes, star and planet formation, and accretion physics. It includes computer simulation of astrophysical plasmas, particularly studies of hot plasmas accreting onto black holes Charles Gammie University of Illinois Urbana-Champaign Physics Astrophysics https://osg-htc.org/iid/10izzs5e7v1r 40.0202 2140865588 Illinois_HTC General research workloads on the UIllinois campuscluster APs Christopher Heller University of Illinois Urbana-Champaign NCSA Research Computing https://osg-htc.org/iid/10izzs5e7v1r 11.0101 1146327518 Illinois_Jackson Electronic Structure Model Using Coarse-Grained Representations Nicholas Jackson University of Illinois Urbana-Champaign Chemistry Chemistry 14 OSG Connect https://osg-htc.org/iid/10izzs5e7v1r 40.05 163654811 Illinois_Park My research broadly focuses on (a) causal inference under interference and non-i.i.d. settings, (b) causal inference under unmeasured confounding, and (c) optimal treatment regimes and policy learning. A common theme in my research is to use non/semiparametric theory and optimization methods to develop efficient and robust estimators of causal quantities in (a)-(c). Website: https://www.chanpark.net/ Chan Park University of Illinois Urbana-Champaign Statistics Statistics https://osg-htc.org/iid/10izzs5e7v1r 27.0503 1623471359 Illinois_Petravick The CMB-S4 project is prototyping processing and data flow on the FABRIC testbed https://portal.fabric-testbed.net/. We are studying the use of HTCondor on FABRIC VM nodes in scenarios where data would arrive over high speed networks. Donald Petravick University of Illinois Urbana-Champaign National Center for Supercomputing Applications (NCSA) Astronomy 14 OSG Connect https://osg-htc.org/iid/10izzs5e7v1r 40.0202 831 Illinois_Vieira The Observational Cosmology Laboratory (ObsCos) work explores the early universe through the echos of the big bang, known as the Cosmic Microwave Background (CMB). The ObsCos lab is developing cryogenic optics for next-generation CMB experiments. This R&D exposes students to clean-room tasks, software simulation, electronics, data acquisition and involvement in a large scale scientific research project. Joaquin Vieira University of Illinois Urbana-Champaign Astronomy Astronomy 14 OSG Connect https://osg-htc.org/iid/10izzs5e7v1r 40.02 395 IngaCFMID We study how interactions between plants and their insect herbivores lead to the evolution of plant defenses, including plant's chemical defenses. In order to identify some of the many unknown compounds we have isolated via LC-MS from the tropical tree genus Inga (Fabaceae), we use in silico fragmentation to predict the ms/ms spectra for a given chemical structure using Competitive Fragmentation Modeling for Metabolite Identification (CFM-ID) (http://cfmid.wishartlab.com). This allows us to match observed ms/ms spectra with a theoretical library of known and predicted chemical structures. Thomas A. Kursar University of Utah Biology Biological Sciences 14 OSG Connect https://osg-htc.org/iid/iwlonrroeaal 26 634 Internet2 Cloud and OSG Integration Sara Jeanes Internet2 other Infrastructure Development 14 OSG Connect https://osg-htc.org/iid/rdbgla0ef33b 30.3001 1407829580 Internet2_Brunson Research Engagement at Internet2 works to enhance global research computing and data capability (RCD), capacity, and resources to better support and advance research activity. We do this by providing consulting and training, facilitating a professional community to develop tools and best practices, and supporting RCD professionals as research partners. https://internet2.edu/community/research-engagement/ Dana Brunson Internet2 Research Engagement Multidisciplinary https://osg-htc.org/iid/rdbgla0ef33b 30.9999f 2135428230 Internet2_MS-CC The Minority Serving - Cyberinfrastructure Consortium envisions a transformational partnership to promote advanced cyberinfrastructure capabilities on HBCU, HSI, TCU, and MSI campuses, with data; research computing; teaching; curriculum development and implementation; collaboration; and capacity-building connections among institutions. Ana Hunsinger Internet2 MS-CC Computer and Information Sciences 14 OSG Connect https://osg-htc.org/iid/rdbgla0ef33b 11.0901 655 JAM Jefferson Lab's Angular Momentum collaboration Thomas Britton Jefferson Lab Physics Nuclear Physics 99 JLab https://osg-htc.org/iid/hlz41oydapzn 40.0806 1645621430 JHUAPL_Clement The formation path way for the compact habitable zone planets system TOI-700 composed of 4 planets is still a mystery. We use N-body simulations with Mercury hybrid integrator to explore how this system was formed. Specifically, we explore the possibility that the TOI-700 system started as a chain of planets in mean-motion-resonance, and was then destabilized after the gas disk dissipated. Matthew Clement Johns Hopkins University Applied Physics Laboratory Physics & Astronomy Astronomy https://osg-htc.org/iid/bifky2z4c98h 40.0203 742 JHU_Howard The goal of this project is to support and expand analysis of open source data for computational mathematics, data science, and operations research. James P. Howard, II Johns Hopkins University Mathematics Mathematical Sciences 14 OSG Connect https://osg-htc.org/iid/3fml5tx2uhe0 27.0301 244568524 JHU_Zhang Condensed matter theory with a focus on strongly correlated physics. Yahui Zhang Johns Hopkins University Department of Physics Physics https://osg-htc.org/iid/3fml5tx2uhe0 40.0808 798745333 JLAB-TEST Jefferson Lab's test experiment Kurt Strosahl Jefferson Lab Physics Nuclear Physics 99 JLab https://osg-htc.org/iid/hlz41oydapzn 40.0806 620 JLAB.EIC Jefferson Lab's EIC project Thomas Britton Jefferson Lab Physics Nuclear Physics 99 JLab https://osg-htc.org/iid/hlz41oydapzn 40.0806 808 JLabMOLLER Jefferson Lab's MOLLER experiment Wouter Deconinck Jefferson Lab Physics Nuclear Physics 99 JLab https://osg-htc.org/iid/hlz41oydapzn 40.0806 1036901538 JSU_Research Project for Jackson State University researchers. Michael Robinson Jackson State University Information Technology Research Computing https://osg-htc.org/iid/q8m8imsihb9c 30.7001 2079313771 JacksonLab_Awe This study aims to develop a reusable pipeline to screen for IEMs using genomic data. Olaitan Awe Jackson Laboratory for Genomic Medicine Computational Research Facilitation Bioengineering & Biomedical Engineering 14 OSG Connect https://osg-htc.org/iid/gf9d5xlhbmrh 14.0501 1047203018 JacksonState_Talchabhadel research focuses on the interconnected impacts of climate change, flooding, and heatwaves. We employ both physically-based and data-driven models to analyze these phenomena. Our physically-based approach utilizes advanced climate and hydrological simulations to project future scenarios, while our data-driven methodology leverages machine learning and statistical techniques to identify patterns in large-scale climate datasets. Rocky Talchabhadel Jackson State University Civil and Environmental Engineering Civil Engineering https://osg-htc.org/iid/q8m8imsihb9c 14.0801 408 JediNetworks Training recurrent neural nets on various tasks; discretizing the dynamics of the networks and observing changes in network stability, performance and topology. Bradley Voytek University of California, San Diego Neuroscience Neuroscience 14 OSG Connect https://osg-htc.org/iid/06wup3aye2t7 26.15 412 KORDrugdiscov It has been shown that deregulation of the Kappa Opioid Receptor (KOR) can contribute to drug abuse and other psychiatric disorders. Therefore, KOR agonists/antagonists have become a target for the development of pharmacotherapies for the treatment of addiction and other CNS disorders. Unfortunately, few chemical scaffolds have been shown to bind selectively to the KOR. Through the use of computational methods, we will screen a variety of chemical scaffolds to see how well they bind to the active pocket of the KOR and Mu Opioid Receptor. From these results, we will identify targets with high binding affinity to Kappa and low binding affinity to Mu. The identified compounds will then be screened for in vitro binding affinity to identify novel KOR selective ligands. David Toth Centre College Chemistry Chemistry 14 OSG Connect https://osg-htc.org/iid/apzl1q10g59m 40.05 1413245467 KOTO KOTO Collaboration OSG project on ap23 Yau Wah The University of Chicago Physics High Energy Physics 30 OSG https://osg-htc.org/iid/06wup3aye2t7 40.0804 749 KSU_CIS625 KSU CIS625 Concurrent Software Systems Daniel Andresen Kansas State University Computer Science Computer Science 14 OSG Connect https://osg-htc.org/iid/kxvagjjgn71t 11.07 1329691806 KSU_Comer We use molecular simulation to better understand biological and synthetic nanoscale systems and interactions between them. Jeff Comer Kansas State University Department of Anatomy and Physiology Health Sciences 14 OSG Connect https://osg-htc.org/iid/kxvagjjgn71t 51 584 KSU_Li Virtual screening of compound library using AutoDock Vina for the discovery of drug/inhibitor of NTMT1 Ping Li Kansas State University Chemistry Chemistry 14 OSG Connect https://osg-htc.org/iid/kxvagjjgn71t 40.05 827 KSU_Ng Structure-based drug discovery for cancer and immunology; computational structural biology and chemistry; protein photonics for imaging. Ho Leung Ng Kansas State University Chemistry Chemistry 14 OSG Connect https://osg-htc.org/iid/kxvagjjgn71t 40.05 663 KSU_Staff KSU Research Computing Staff Dave Turner Kansas State University Computer Science Advanced Scientific Computing 14 OSG Connect https://osg-htc.org/iid/kxvagjjgn71t 11 1377710926 KSU_Thumm Theoretical studies on the time-resolved dissociative ionization of triatomic molecules (currently CO2) in ultrashort laser pulses Uwe Thumm Kansas State University Department of Physics Atomic Physics 14 OSG Connect https://osg-htc.org/iid/kxvagjjgn71t 40.0802 1829361616 Kennesaw_RC Facilitation/Consultation support for faculty with computing and data requirements at Kennesaw State Ramazan Aygun Kennesaw State University Computer Science Computer Science 14 OSG Connect https://osg-htc.org/iid/ergs0rt3q1i6 11.0701b 746 KentState_Strickland Non-equilibrium dynamics of the quark-gluon plasma Michael Strickland Kent State University Department of Physics Physics 14 OSG Connect https://osg-htc.org/iid/2iujc1axzu6d 40.08 322524050 KentState_Thomas Exploring OSG for local access point and compute element Philip Thomas Kent State University Research Support Services Computer Science 14 OSG Connect https://osg-htc.org/iid/2iujc1axzu6d 11.07 155 KickstarterDataAnalysis Project Description: Over the past five years, there has been a boom in technology startups that continues to attract more and more talent. While everyone starts with a million-dollar idea, only a few manage to transfer into real innovations and impact our lives. What makes those ideas successful? Can you imagine an app that tells you how innovative your idea is? This project will take a computational approach to the understanding of innovation and develop a machinery to learn from real data to evaluate the creativity of new ideas. Innovation is a broad topic, constantly discussed in business, economics, sociology, etc. It is such a complex phenomenon that there is no thorough theory about it. Here we will take a combinatorial perspective: an idea is a combination of existing and new knowledge. Hence, the goal is to understand why certain combinations are more interesting than others. Specifically, the first step is to map out our idea space with data from kickstarter, US Patents, and possibly other knowledge databases. The second step is to find interesting patterns, associations and dynamics in this map of knowledge. And finally computational methods will be developed to evaluate the fitness of any idea in a given environment. Feng Bill Shi University of Chicago Computation Institute Statistics 14 OSG Connect https://osg-htc.org/iid/o14joi278jrs 27.05 65 KnowledgeLab Knowledge Lab / CI James Evans University of Chicago Computation Institute Multidisciplinary 14 OSG Connect https://osg-htc.org/iid/o14joi278jrs 30 22 KnowledgeSys In educational assessment, several questions must be answered when constructing a test, such as “How many items are necessary for adequate knowledge measurement precision?”, “How many field-test students are needed to adequately calibrate model parameters?”, or “Which computerized adaptive testing (CAT) algorithm performs best?” For complex non-linear models, these questions are typically approached by simulation: Model parameters are calibrated (as if unknown) from simulated student item responses, or the emergent properties of particular CAT algorithms are investigated with a large number of simulated test takers. Since the design space grows quickly, many simulations are necessary to understand general trends. Match-for-OSG: Simulations throughout the test design space can be run independently, requiring little coordination between cores. Computations generally do not have high memory requirements or unusual library/code dependencies, and computations can be recovered from checkpoints easily. The large number of simulations suggests parallel computing, but the independence allows an asynchronous, distributed environment, such as OSG. Michael J. Culbertson University of Illinois Urbana-Champaign Psychology Educational Psychology 14 OSG Connect https://osg-htc.org/iid/10izzs5e7v1r 42.2806 588 KoBIV Bayesian Instrumental Variable Regression Stanley Iat-Meng KO University of Macau Finance Finance 14 OSG Connect https://osg-htc.org/iid/db53o5sfgkhl 52 734 LANL_Chennupati Training and examining machine learning models Gopinath Chennupati Los Alamos National Lab Los Alamos National Laboratory Computer Sciences 14 OSG Connect https://osg-htc.org/iid/p3r6zb1vwk63 11.0701a 477 LArSoft The Liquid Argon Software (LArSoft) Collaboration develops and supports a shared base of physics software across Liquid Argon (LAr) Time Projection Chamber (TPC) experiments. Erica Snider Fermilab Scientific Computing Division High Energy Physics 9 Fermilab https://osg-htc.org/iid/ik4s3ql8u1j7 40.08 189400657 LBNL_Jensen Spectral reconstruction of laser-driven secondary light sources Kyle Jensen Lawrence Berkeley National Laboratory ATAP, BELLA Center Physics https://osg-htc.org/iid/bvf12qyqplv6 40.0807 670 LEARN_CITeam CI Team for the Lonestar Education and Research Network (LEARN) including CTO staff. http://www.tx-learn.org/ Akbar Kara Lonestar Education and Research Network CTOStaff and Cyberinfrastructure Team Multi-Science Community 14 OSG Connect https://osg-htc.org/iid/wd82n7t2q410 30 459 LGAMUT Simulations for developing a kernel based statistical methodology. Debashis Ghosh University of Colorado Denver Biostatistics Bioinformatics 14 OSG Connect https://osg-htc.org/iid/m27szfeh7gut 26.1103 119 LIGO Gravitational Wave Astronomy Peter F. Couvares International Gravitational-Wave Observatory Network (IGWN) Physics Gravitational Physics 14 OSG Connect https://osg-htc.org/iid/d5uszq7419m3 40.0899 1727907094 LIGO_GstLAL LIGO collaboration members contributing to the GstLAL package Chad Hanna Pennsylvania State University LIGO Astronomy and Astrophysics https://osg-htc.org/iid/f1tlj6c19ppg 40.0202 1910293833 LIGO_Orientation Orientation group for LIGO Peter F. Couvares LIGO Scientific Collaboration International Gravitational-Wave Observatory Network (IGWN) Gravitational Physics https://osg-htc.org/iid/d5uszq7419m3 40.0299 1124125707 LLNL_Sochat Developer tooling, including environments, apps, and workflows. Vanessa Sochat Lawrence Livermore National Laboratory Livermore Computing (lc) Computer and Information Services 14 OSG Connect https://osg-htc.org/iid/p4yzz1wxq2g3 11.01 638 LSMSA_Burkman Solving optimization problems via genetic algorithms John Bradford Burkman Louisiana School for Math, Science, and the Arts Math and Computer Science Computer Sciences 14 OSG Connect https://osg-htc.org/iid/trggbvycsbve 11.0701a 605 LSUHSC_CanavierLab Nonlinear dynamics of single neurons and networks Carmen Canavier Louisiana State University Health Sciences Center Cell Biology and Anatomy Neuroscience 14 OSG Connect https://osg-htc.org/iid/9idmt4uz33c1 26.15 607 LSUHSC_Lin LASSO Variable Selection for Genetic Interaction Models Hui-Yi Lin Louisiana State University Health Sciences Center Biostatistics Biostatistics 14 OSG Connect https://osg-htc.org/iid/9idmt4uz33c1 26.1102 755 LSUHSC_Yu Bayesian Mediation Analysis Qingzhao Yu Louisiana State University Health Sciences Center Biostatistics Health Sciences 14 OSG Connect https://osg-htc.org/iid/9idmt4uz33c1 51 1970905518 LSU_Chakraborty Work in the interdisciplinary fields in theoretical condensed matter physics, quantum information science and statistical physics. My research focuses on non-equilibrium dynamics of quantum many-particle systems, especially open quantum systems and disordered systems. My "Quantum Dynamics and Information" group at LSU will focus on three integrated research areas: (1) entanglement dynamics in monitored quantum circuits, (2) manipulation of quantum material by light and (3) dynamics of disordered systems and thermalization. Ahana Chakraborty Louisiana State University Physics and Astronomy Physics https://osg-htc.org/iid/lk45ajqlj7f1 40.0808 1466529550 LSU_Cox Using machine learning techniques that discover solutions with anatomically and temporally structured sparsity, we aim to test representational predictions from cognitive psychology using whole-brain neuroimaging datasets. Christopher Cox Louisiana State University Department of Psychology Behavioral Science https://osg-htc.org/iid/lk45ajqlj7f1 30.1701 425231092 LSU_Wilson The study of disorder effects in quantum materials and in far-from equilibrium quantum systems. Justin Wilson Louisiana State University Physics and Astronomy Physics 14 OSG Connect https://osg-htc.org/iid/lk45ajqlj7f1 40.0808 1205699017 LTU_Moschelli Simulations of relativistic nuclear collisions. These simulations produce an "initial state" intended to mimic the moment of the nuclear collision and then several stages describing the dynamics of the interactions of the matter produced in the collision until the point until where it would be seen by experimental detectors. The goal of these simulations is to investigate theories of the strong nuclear force that governs the production of the initial state and interactions of produced matter. George Moschelli Lawrence Technological University Department of Natural Sciences Physics https://osg-htc.org/iid/zyc8xweopmj1 40.0801 568 LancasterPPS Lancaster Muon g-2 Experiment Beam Dynamics Ian Bailey Lancaster University Physics Physics 14 OSG Connect https://osg-htc.org/iid/dfdg98dgszv4 40.08 487 Lariat Project entry corresponding to Lariat VO. Lisa Goodenough Fermilab N/A High Energy Physics 9 Fermilab https://osg-htc.org/iid/ik4s3ql8u1j7 40.08 407 Leaderbipartite Leader-Milicevic-Tan asked how many products of complete bipartite graphs are needed to decompose the edge set of K_3 x K_n. Doing this with 2*(n-1) is trivial, here we use simulated annealing to search for a better construction. Jozsef Balogh University of Illinois Urbana-Champaign Mathematics Mathematical Sciences 14 OSG Connect https://osg-htc.org/iid/10izzs5e7v1r 27 898832953 Lehigh_Lang Our research focuses on understanding the dynamics of mitonuclear co-evolution in populations of microorganisms. We use experimental evolution, next-generation sequencing, and systems biology approaches to study how populations adapt to different pairs of nuclear and mitochondrial genomes to uncover the mechanisms underlying these processes. Gregory Lang Lehigh University Department of Biological Sciences Evolutionary Biology https://osg-htc.org/iid/zu72yws3nzeo 26.1303 323 Lg-Attenuation Determine the attenuation of the regional shear wave Lg for NE China and the contiguous United States using broadband seismograms. Andrea C Gallegos New Mexico State University Earth Sciences Earth Sciences 14 OSG Connect https://osg-htc.org/iid/zoe98r1f2ztc 40.06 343 LiuLab The project goal is to create new computational methodologies for large-scale phylogenomic analyses involving complex evolutionary histories. Kevin Jensen Liu Michigan State University Computer Science and Engineering Bioinformatics 14 OSG Connect https://osg-htc.org/iid/wala2w0ka0gb 26.1103 689 LoyolaChicago_Li quantum chemical simulations Pengfei Li Loyola University Chicago Chemistry Chemistry 14 OSG Connect https://osg-htc.org/iid/3zyvzg1ixzvw 40.0511 293042001 LoyolaChicago_Wu Time Series Analysis, Bootstrap/Subsampling and Machine Learning methods, especially for their applications in prediction. Kejin Wu Loyola University Chicago Department of Mathematics and Statistics Statistics https://osg-htc.org/iid/3zyvzg1ixzvw 27.0501 541 LyCfesc Lyman continuum escape fraction. Monte Carlo simulations of galaxy light absorption. Rogier Windhorst Arizona State University Astrophysics 14 OSG Connect https://osg-htc.org/iid/er1rnzey26m9 40.0202 652 MCBI processing images with Freesurfer Davide Momi Harvard University Martinos Center for Biomedial Imaging Medical Imaging 14 OSG Connect https://osg-htc.org/iid/n1kbnzl7kyiv 51 168 MCP We wish to use the Condor grid for running the program ARCIMBOLDO, which is geared for finding HT molecular replacement solutions. Because we have a recalcitrant system in our hands, we really need this system to solve our problem. C. S. Raman University of Maryland Baltimore Pharmaceutical Sciences Biochemistry 14 OSG Connect https://osg-htc.org/iid/atbdx81kfmv4 26.0202 590 MCSimulations The project entails the calculation of the scattering cross sections for the the production of a Higgs boson in association of several jets for current and future collider experiments such as the CERN Large Hadron Collider. Scattering cross section calculation employ Monte Carlo simulation tools such as Herwig 7. Terrance Figy Wichita State University Mathematics, Statistics, and Physics High Energy Physics 14 OSG Connect https://osg-htc.org/iid/p3nn2sljiwwl 40.08 410 MCSpinLiquid Perform monte carlo simulation on spin liquid systems John McGreevy University of California, San Diego Physics Physics 14 OSG Connect https://osg-htc.org/iid/06wup3aye2t7 40.08 586 MEEG-group Interface between MEG/EEG tools and HTCondor Arno Delorme University of California, San Diego Institute for Neural Computation Neuroscience 14 OSG Connect https://osg-htc.org/iid/06wup3aye2t7 26.15 1183213381 MERIT_Research Network Research, Cybersecurity, and Technology Impact Research comprise the scope of our scholarship. Merit Research seeks to inspire and advance innovation in networking and cybersecurity. We also seek to increase the understanding of the societal impacts of technology, broadband and information access for the purpose of making the world a better place to learn, discover, work and live. The National Distributed Network Telescope (NDNT) is a nationwide initiative led by Merit Network to build a collaborative infrastructure for analyzing unsolicited Internet traffic—also known as darknet data. A network telescope is a system that monitors unused portions of the Internet’s address space to collect and analyze traffic that was not intentionally sent to a live host. This data offers a unique window into global Internet activity, allowing researchers to study scanning behavior, attacks, and other anomalous events that help strengthen cybersecurity. Pierrette Dagg Michigan Educational Research Information Triad MERIT Computer Science https://osg-htc.org/iid/2x7amv9hgs14 11.0901 741 MFEKC Molecular-Free-Energy-Computing Glen Hocky New York University Chemistry Chemistry 14 OSG Connect https://osg-htc.org/iid/hjcl6b3vh3ox 40.05 571 MFProteins Simulations of mini-fluorescent proteins Colin Smith Wesleyan University Chemistry Chemistry 14 OSG Connect https://osg-htc.org/iid/xhmnioxyd5ck 40.05 511 MINT The Model INTegration (MINT) project will develop a modeling environment which will significantly reduce the time needed to develop new integrated models, while ensuring their utility and accuracy. Mats Rynge ISI Computer Science Earth Sciences 14 OSG Connect https://osg-htc.org/iid/6edduwj65dlr 40.06 800 MIT_Akiyama Developing computational imaging techniques in radio astronomy Kazunori Akiyama Massachusetts Institute of Technology Haystack Observatory Astronomy 14 OSG Connect https://osg-htc.org/iid/jtlq7k0qkxtn 40.02 804 MIT_Chakraborty Using computational methods to study the adaptive immune system; simulating the processes of affinity maturation in order to improve vaccine design. Arup Chakraborty Massachusetts Institute of Technology Chemical Engineering Biological and Biomedical Sciences 14 OSG Connect https://osg-htc.org/iid/jtlq7k0qkxtn 26.0507 744 MIT_Choi Simulating dynamics of strongly interacting quantum many-body systems Soonwon Choi Massachusetts Institute of Technology Center for Theoretical Physics Physics 14 OSG Connect https://osg-htc.org/iid/jtlq7k0qkxtn 40.0808 1399239992 MIT_Chuang We aim to perform large-scale simulations of error-correcting codes for quantum computation. In particular, we wish to test post-selection strategies for high-rate quantum codes (those that very efficiently pack in a large amount of error-corrected qubits into a relatively small number of physical qubits) which will allow us to improve the error rate by orders of magnitude by only rejecting a small fraction of the shots. Our work is highly suitable for high throughput computing because we need to take billions of shots of the simulation, each of which is very cheap; it is not a problem if our jobs are cancelled. Isaac Chuang Massachusetts Institute of Technology Department of Electrical Engineering/Department of Physics Physics https://osg-htc.org/iid/jtlq7k0qkxtn 40.0801 795 MIT_Hill This is for NSF-NASA efforts to create very large realistic models of the Earths oceans ( https://data.nas.nasa.gov/ecco/ ). Some of our largest modeling efforts produce multi-petabyte solutions and we are experimenting with sharing via the NSF Open Storage Network to provide broad open access to datasets that are increasingly widely used. We are interested in undertaking high-throughput analysis to identify ocean vorticity feature statistics in different model solutions to better understand air-sea feedbacks that are significant for better modeling climate processes. We are also interested in creating scripts that we can share widely with downstream users throughout the US and globally. We will be using the OSN object store accessed through the Python s3fs and xarray tools. These allow high concurrency access for reading different objects within the project OSN S3 buckets. Chris Hill Massachusetts Institute of Technology Earth, Atmospheric and Planetary Sciences Earth and Ocean Sciences 14 OSG Connect https://osg-htc.org/iid/jtlq7k0qkxtn 40 526815136 MIT_Kardar Simulation of large-scale evolutionary dynamics Mehran Kardar Massachusetts Institute of Technology Department of Physics Physics 14 OSG Connect https://osg-htc.org/iid/jtlq7k0qkxtn 40.08 1315886390 MIT_Takei I am working on models for quantifying the effects on the change of financial regulations Ikuo Takei Massachusetts Institute of Technology Global Programs Finance https://osg-htc.org/iid/jtlq7k0qkxtn 52.0806 1657278455 MIT_Wen Running Quantum Monte Carlo simulations on quantum Hall states and its modifications which can lead to a superconductor, and compare its energetics to Fermi liquid states. See 2409.18067 and 2507.18582 for our recent efforts. We are trying to expand our calculation to Wigner crystal states and further class of Slater-Jastrow type wavefunctions to calculate a more exact wavefunction of parton theory which could lead to new insights in high Tc superconductivity or spin liquids. Xiao-Gang Wen Massachusetts Institute of Technology Physics Physics https://osg-htc.org/iid/jtlq7k0qkxtn 40.0801 2138057204 MIT_submit Workloads originating on the submit infrastructure at mit.edu Zhangqier Wang Massachusetts Institute of Technology Laboratory for Nuclear Science Computer and Information Services https://osg-htc.org/iid/jtlq7k0qkxtn 11.0101 525 MLResearch Image Reconstruction of Satellites using Machine Learning using MATLAB. Ashish Tiwari Georgia State University Computer Science Computer Science 14 OSG Connect https://osg-htc.org/iid/ybl3snr9pbs1 11.07 1732137639 MMC_Leegon Provide services to other PIs both on campus and at other academic institutions including student training. In addition, internally we do bioinformatics research with tools such as BLAST. Jeffrey Leegon Meharry Medical College Bioinformatics and Proteomics Biological and Biomedical Sciences 14 OSG Connect https://osg-htc.org/iid/szgkxvztsl07 26 372 MMHA The project aim is to estimate structural parameters of dynamic heterogeneous agent model to investigate the optimal design of monetary and financial policies. In particular, we need to find numerical solutions for stochastic dynamic programming problems with many state variables. Ikuo Takei University of Wisconsin–Madison Economics Economics 14 OSG Connect https://osg-htc.org/iid/fq8thqsj99zh 45.06 442 MOLLER The MOLLER experiment at Jefferson Lab is a Department of Energy supported project (currently past CD-0 status) that aims to determine the electroweak mixing angle to the highest precision at low energies through elastic electron-electron scattering. Wouter Deconinck Jefferson Lab Physics High Energy Physics 14 OSG Connect https://osg-htc.org/iid/hlz41oydapzn 40.0804 475 MOmega Looking at agreement of African triage data using Meier's Omega Maxene Meier University of Colorado School of Public Health Statistics 14 OSG Connect https://osg-htc.org/iid/gpeckuwpdnrs 27.05 133 MS-EinDRC For modeling and other computational projects of the Mt. Sinai-Einstein DRC and affiliates, primarily structurally related protein Modeling and Docking. Jacob Pessin Albert Einstein College of Medicine Endocrinology Medical Sciences 14 OSG Connect https://osg-htc.org/iid/yzcm7hs9f1d0 26 4446861 MSKCC_Chodera We are developing a system to enable high throughput free energy calculations. John Chodera Memorial Sloan Kettering Cancer Center MSKCC Bioinformatics https://osg-htc.org/iid/tna2ohxsca1r 26.1103 1639234221 MSSM_Ali Hands on Training on Robust Molecular Simulations Introduces students to the exciting areas in Computational Biophysics, drug design, bioinformatics and potentially other computing intensive fields Rejwan Ali Icahn School of Medicine at Mount Sinai Neurology Biological and Biomedical Sciences 14 OSG Connect https://osg-htc.org/iid/uwam2e6xh8l2 26 717004860 MSState_2024_Chen This project is dedicated to creating a comprehensive multimodal platform, specifically designed to enhance graph dynamics analytics in professional settings.Our goal is to encompass the complete life cycle of graph dynamics with particular emphasis on spatial trajectory mining, including location prediction, optimal routing inference, and identity recognition. Central to this initiative is utilization the capabilities of large transformer models (e.g., Large Language Models, Vision Transformers, or Graph Transformers). These will be tailored to effectively capture the complexities inherent in trajectory over spatial graphs. By leveraging natural language, we can unlock the potential of advanced graph analytics to those without programming expertise, and enable seamless collaboration between experts across domains by speaking the universal language. Zhiqian Chen Mississippi State University Computer Science and Engineering Computer and Information Services https://osg-htc.org/iid/imn1pe0dhcwc 11.01 1825977922 MST_Arifuzzaman Elastic Data Transfer Optimizations Md Arifuzzaman Missouri University of Science and Technology Department of Computer Science Computer Science https://osg-htc.org/iid/a5fyyhl121i9 11.0101 635 MSU_Berz Nonlinear beam dynamics simulations of the Muon g-2 Experiment at Fermilab Martin Berz Michigan State University Physics Physics 14 OSG Connect https://osg-htc.org/iid/wala2w0ka0gb 40.0804 721 MSU_Colbry SEE-Insight: Scientific Image Understanding algorithm discovery using Simple Evolutionary Exploration Dirk Colbry Michigan State University Computational Mathematics, Science and Engineering Computer Science 14 OSG Connect https://osg-htc.org/iid/wala2w0ka0gb 11.07 2061809859 MSU_ICERStaff Group for ICER (Institute for Cyber Enabled Research) staff at Michigan State Dirk Colbry Michigan State University Institute for Cyber Enabled Research Research Computing 14 OSG Connect https://osg-htc.org/iid/wala2w0ka0gb 11 1365653334 MSU_Jacobson My students and I are planetary scientists who study the planets, moons, asteroids, and comets of the Solar System as well as other planetary systems with computational tools from the fields of celestial mechanics, geophysics, and geochemistry. Our science is driven by big questions: where did our world come from? What other kinds of worlds are out there? And, how unique is our planets history? (www.planetarymakerspace.org) Seth Jacobson Michigan State University Earth & Environmental Sciences Earth Sciences https://osg-htc.org/iid/wala2w0ka0gb 40.0601b 1819838320 MSU_Kerzendorf Astronomy simulations for machine learning Wolfgang Kerzendorf Michigan State University Department of Physics and Astronomy Astronomy 14 OSG Connect https://osg-htc.org/iid/wala2w0ka0gb 40.02 353703611 MSU_Mitra Reliability and resilience in power systems, focusing on Monte Carlo and Markov Chain Monte Carlo methods for modeling grid performance. Joydeep Mitra Michigan State University Electrical and Computer Engineering Engineering https://osg-htc.org/iid/wala2w0ka0gb 14.4701 1775226506 MSU_RCI Montana State University - RCI staff Alex Salois Montana State University Research Cyberinfrastructure Computer Science https://osg-htc.org/iid/0budavib8vhh 11.0701 627 MSU_Szilagyi Emergence of Life Robert Szilagyi Montana State University Chemistry Chemistry 14 OSG Connect https://osg-htc.org/iid/0budavib8vhh 40.05 2025707023 MTU_Sha My methodological research projects focus on the development of novel statistical methods and efficient bioinformatical tools to address problems from genome-wide association studies and phenome-wide association studies. Qiuying Sha Michigan Technological University Department of Mathematical Sciences Mathematics 14 OSG Connect https://osg-htc.org/iid/o049zuevacpx 27.01 753 MTU_Zhang Statistical genetics Kui Zhang Michigan Technological University Mathematical Sciences Mathematics 14 OSG Connect https://osg-htc.org/iid/o049zuevacpx 27.01 381419697 Macalester_Staff Group for staff members at Macalester College test-driving the OSPool. Tamatha Perlman Macalester College Information Technology Services Technology https://osg-htc.org/iid/aepd2prkwqu2 11.0103 403 MaizeAminoAcids The amino acid content in maize kernels is critically important for human and animal nutrition. However, the genetic basis underpinning amino acids is not fully understood. We are performing Genome Wide Association Studies and Genomic prediction in a panel of several thousand maize plants genotyped at tens of millions of loci to finely dissect amino acid traits in maize. Timothy M Beissinger University of Missouri Divison of Plant Sciences Evolutionary Sciences 14 OSG Connect https://osg-htc.org/iid/dohu2f6ba08u 26.13 483 Mapping Spectroscopic maps are widely used in condensed-phase vibrational spectroscopic simulations. We aim to develop ab-initio-based maps for water, and more complex systems. Liang Shi University of California, Merced Chemistry Chemistry 14 OSG Connect https://osg-htc.org/iid/x5v4n3xgq7lu 40.05 436 MarLab Doing RNA-seq analysis to understand biomolecular systems. Jessica Mar Albert Einstein College of Medicine Systems and Computational Biology Bioinformatics 14 OSG Connect https://osg-htc.org/iid/yzcm7hs9f1d0 26.1103 360 MedInf Analysis of modern surgery presents many interesting computational challenges. The problems of access to data, data analysis, and interpretation of said analysis all present fundamental, unsolved difficulties to those in medical informatics. The focus of this project primarily involves data analysis where operations are still typically thought of holistically and conceptually, rather than algorithmically. This work is an attempt to change that by properly defining surgical procedures in a manner conducive to both education and analysis. Alex Langerman The University of Chicago Otolaryngology Medical Sciences 14 OSG Connect https://osg-htc.org/iid/o14joi278jrs 26 859337669 MedPhysics_DeWerd Simulations for radiation therapy applications Larry DeWerd University of Wisconsin–Madison Medical Physics Physics https://osg-htc.org/iid/fq8thqsj99zh 51.2205 297166558 Merrimack_Mahata We use Density functional theory calculation, Ab-inito Molecular Dynamics and classical molecular dynamics simulation on metals, alloys using Quantum Espresso, CP2K, LAMMPS, GROMACS. https://www.merrimack.edu/profiles/avik-mahata/ Avik Mahata Merrimack College Department of Mechanical Engineering Materials Research https://osg-htc.org/iid/bryhdz8by9bi 14.1801 1300616071 MiamiOH_Staff Staff at Miami University in Ohio Jens Mueller Miami University Research Office Research Computing 14 OSG Connect https://osg-htc.org/iid/7x1mbq3fyfo4 11.0701b 1266613576 Michigan_2023_Riles Research on gravitational waves and elementary particle physics. J. Keith Riles University of Michigan–Ann Arbor Physics Astrophysics https://osg-htc.org/iid/4ocf9kvq30fn 40.0202 767 Michigan_ARCStaff Research IT support and advocacy Todd Raeker University of Michigan Advanced Research Computing Computer Sciences 14 OSG Connect https://osg-htc.org/iid/4ocf9kvq30fn 11.0701a 1472383658 Michigan_Alben The planned research will discover improved flows for thermal transport enhancement. We will extend an existing steady 2D method to efficiently compute optimal unsteady 2D flows in benchmark geometries such as channel flows, and closed and open domains between hot and cold surfaces. We will also develop computational methods for optimal flows in 3D domains that are analogous to the 2D domains we have studied, and determine the gains from 3D flows relative to 2D flows in comparable domains. Silas Alben University of Michigan Mathematics Applied Mathematics 14 OSG Connect https://osg-htc.org/iid/4ocf9kvq30fn 27.03 770 Michigan_Bioinformatics OSG for UMich Bioinformatics Chris Gates University of Michigan Biomedical Research Core Facilities Biological and Biomedical Sciences 14 OSG Connect https://osg-htc.org/iid/4ocf9kvq30fn 26 766 Michigan_Brines Assessing & Communicating Climate and Water Ecosystem Services of the City of Ann Arbor Greenbelt Program Shannon Brines University of Michigan The School for Environment and Sustainability Natural Resources and Conservation 14 OSG Connect https://osg-htc.org/iid/4ocf9kvq30fn 03 789 Michigan_Jadidi Cave mapping with underwater robots using invariant common filter method. Maani Ghaffari Jadidi University of Michigan Naval Architecture and Marine Engineering Robotics 14 OSG Connect https://osg-htc.org/iid/4ocf9kvq30fn 14.4201 196984630 Michigan_Jahn I want to make videos and documentation showing how to use the Open Science Grid to analyze large FreeSurfer datasets. This is to help make supercomputing resources more accessible to students and researchers at smaller colleges that may not have their own supercomputing cluster. Andrew Jahn University of Michigan fMRI Laboratory Biological and Biomedical Sciences 14 OSG Connect https://osg-htc.org/iid/4ocf9kvq30fn 26 814 Michigan_Knowles Population genetics and demography L. Lacey Knowles University of Michigan Ecology and Evolutionary Biology Biological Sciences 14 OSG Connect https://osg-htc.org/iid/4ocf9kvq30fn 26 712 Michigan_Riles Continuous gravitational waves Keith Riles University of Michigan Physics Gravitational Physics 14 OSG Connect https://osg-htc.org/iid/4ocf9kvq30fn 40.0804 1193659107 Michigan_Schwarz Work on Di-Higgs searches, specifically HH->bbtautau process, and my main research focus is working on Machine learning algorithm optimization for the analysis, see link of my most recent progress of my research: https://cernbox.cern.ch/index.php/s/qPJ7QkOcOjrZdMW Thomas Schwarz University of Michigan Physics Physics, Particle Physics, High Energy Physics 14 OSG Connect https://osg-htc.org/iid/4ocf9kvq30fn 40.08 793 Michigan_Seelbach Automating movement and identification of fish in restored wetland areas Paul Seelbach University of Michigan School for Environment and Sustainability Earth and Ocean Sciences 14 OSG Connect https://osg-htc.org/iid/4ocf9kvq30fn 40 161275571 Michigan_Viswanathan This project seeks to understanding the solvent design rules for efficient electrodeposition of cations. By combining molecular dynamics and first-principles (DFT) calculations, we want to design cation–anion–solvent–additive electrolytes that simultaneously promote metal-oxide ore dissolution and suppress parasitic hydrogen evolution primarily by expanding water’s cathodic stability window while maintaining efficient metal electrodeposition. Venkatasubramanian Viswanathan University of Michigan Department of Aerospace Engineering Chemical Engineering https://osg-htc.org/iid/4ocf9kvq30fn 14.0701 788 Michigan_Wells Training neural networks for particle physics research James Wells University of Michigan Physics Physics 14 OSG Connect https://osg-htc.org/iid/4ocf9kvq30fn 40.08 494 MicroBooNE Project entry corresponding to the MicroBooNE VO. Lisa Goodenough Fermilab N/A High Energy Physics 9 Fermilab https://osg-htc.org/iid/ik4s3ql8u1j7 40.0804 491 Minerva Project entry corresponding to the Minerva VO. Gabriel Nathan Perdue Fermilab N/A High Energy Physics 9 Fermilab https://osg-htc.org/iid/ik4s3ql8u1j7 40.0804 569429769 Mines_2023_Stevanovic Computational materials physics and materials science research. Focus on inorganic functional materials, materials discovery and design. Vladan Stevanovic Colorado School of Mines Metallurgical and Materials Engineering Materials Science https://osg-htc.org/iid/2gwyao3kqhpn 14.1801b 833 Mines_BeEST The Beryllium Electron capture in Superconducting Tunnel junctions Experiment (BEeST) employs the decay–momentum reconstruction technique to precisely measure the 7Be 7Li recoil energy spectrum in superconducting tunnel junctions (STJs). Kyle Leach Colorado School of Mines Physics Physics 14 OSG Connect https://osg-htc.org/iid/2gwyao3kqhpn 40.08 739 Mines_CIARCStaff Staff at the Cyberinfrastrucure and Advanced Research Computing, within central IT (ITS). Matthew Ketterling Colorado School of Mines Cyberinfrastructure and Advanced Research Computing Computer and Information Sciences 14 OSG Connect https://osg-htc.org/iid/2gwyao3kqhpn 11 745 Mines_GomezGualdron Prediction of Adsorption in Metal-Organic Frameworks Diego Gomez-Gualdron Colorado School of Mines Chemical and Biological Engineering Chemical Engineering 14 OSG Connect https://osg-htc.org/iid/2gwyao3kqhpn 14.07 606 Mines_Leach Nuclear Two-Photon Decay with GRIFFIN Kyle Leach Colorado School of Mines Physics Physics 14 OSG Connect https://osg-htc.org/iid/2gwyao3kqhpn 40.0806 150 MiniWorkshopUC15 Open Science Grid Mini-Workshop at University of Chicago on April 9th 2015 Robert William Gardner Jr University of Chicago Computation Institute Computer and Information Science and Engineering 14 OSG Connect https://osg-htc.org/iid/o14joi278jrs 11 503 Minos Project entry corresponding to the Minos VO. Lisa Goodenough Fermilab N/A High Energy Physics 9 Fermilab https://osg-htc.org/iid/ik4s3ql8u1j7 40.08 645 Mizzou_OSGTeaching Teaching OSG at Mizzou Timothy Middelkoop University of Missouri Research Computing Support Services, Division of IT Education 14 OSG Connect https://osg-htc.org/iid/dohu2f6ba08u 11.0701b 624 Mizzou_RCSS Research Computing Support Services at the University of Missouri Timothy Middelkoop University of Missouri Research Computing Support Services, Division of IT Research Computing 14 OSG Connect https://osg-htc.org/iid/dohu2f6ba08u 11 1722643692 MontgomeryCollege_Dillman workforce training, 2-5 day workshops every couple of months to get bench biologists comfortable with various bioinformatics pipelines on the command line. Allissa Dillman Montgomery College Workforce Development & Continuing Education Biological and Biomedical Sciences 14 OSG Connect https://osg-htc.org/iid/hsi3jk083s4c 26 493 Mu2e Project entry corresponding to the Mu2e VO. Lisa Goodenough Fermilab N/A High Energy Physics 9 Fermilab https://osg-htc.org/iid/ik4s3ql8u1j7 40.0804 863118607 NASA_Nasipak Gravitational wave modeling, specifically the modeling the dynamics and gravitational waves of black hole binaries known as extreme-mass-ratio inspirals for future milliHertz detectors. Zachary Nasipak National Aeronautics and Space Administration Goddard Space Flight Center Astronomy https://osg-htc.org/iid/hrt3mp3j3ceb 40.0201 2124538007 NCAR_Schuster We plan to test the capabilities of the OSPool to run climate science research related data analytics workflows using datasets made accessible through NSF NCAR's integration with the Open Science Data Federation. Douglas Schuster National Center for Atmospheric Research Computational and Information System Lab Atmospheric Sciences https://osg-htc.org/iid/hfo8pge14iwg 40.0401 1280754188 NCEMS The National Synthesis Center for Emergence in the Molecular and Cellular Sciences (NCEMS), funded by the U.S. National Science Foundation (NSF), is dedicated to catalyzing multidisciplinary scientific teams to synthesize publicly available data to address fundamental questions related to emergence phenomena in the molecular and cellular biosciences. NCEMS efforts are focused on emergent properties at the mesoscale. A description of our first cohort of 10 Working Groups is available here: https://ncems.psu.edu/working-groups/ Ed O'Brien Pennsylvania State University Department of Chemistry Biological and Biomedical Sciences https://osg-htc.org/iid/f1tlj6c19ppg 26.0101 394 NCOppSchool Studying the effects of the North Carolina Opportunity Scholarship using a discrete choice model. The estimation recovers utility parameters for school choice using school enrollments. Michael Dinerstein The University of Chicago Economics Economics 14 OSG Connect https://osg-htc.org/iid/o14joi278jrs 13 484556001 NCSU_2023_Hall Research involving biomolecule simulation, self-assembly of soft materials, and the design of synthetic peptides. Carol Hall North Carolina State University Chemical and Biomolecular Engineering Chemical Engineering https://osg-htc.org/iid/mcejqenugk6j 14.0701 703410343 NCSU_Barroso Biomolecular interactions have been core pillars of our research. We are involved in developing and applying new computational technologies and offering a rational computational-based approach to the study of protein systems and the discovery of novel therapeutic agents (e.g. antibodies), biomarkers, and proteins for specific applications including key disease-related protein mechanisms. Fernando Luis Barroso da Silva North Carolina State University Department of Chemical and Biomolecular Engineering Biological and Biomedical Sciences/Biophysics 14 OSG Connect https://osg-htc.org/iid/mcejqenugk6j 26.0203 2097859602 NCSU_Gray Map and characterize global change, and to understand the consequences of these changes for the Earth system and society. Anthropogenic changes to vegetation (e.g. cropping systems, deforestation, etc.) are of particular interest. Example research questions include: How can we feed a growing population without running out of water? Have tropical deforestation mitigation policies been effective? How is vegetation phenology changing in response to a changing climate? Josh Gray North Carolina State University Center for Geospatial Analytics Geosciences https://osg-htc.org/iid/mcejqenugk6j 40.0601 408037770 NCSU_Hall Studies of square shaped colloidal particles with internal magnetic dipoles. Objective is to discover the phase behavior of colloids under the presence and absence of a magnetic field. Carol Hall North Carolina State University Department of Chemical and Biomolecular Engineering Chemical Engineering 14 OSG Connect https://osg-htc.org/iid/mcejqenugk6j 14.0701 1706931595 NCSU_Petersen Annealing of graphite by using large ensembles to accelerate barrier crossing times. https://www.sciencedirect.com/science/article/pii/S0022311517315490 Andrew Petersen North Carolina State University OIT HPC Materials Science 14 OSG Connect https://osg-htc.org/iid/mcejqenugk6j 40.1001 1380245457 NCSU_Staff Continue my access to the OSPool after the OSG School to further support potential users and workflows for NC State University Christopher Blanton North Carolina State University Research Facilitation Service Research Computing https://osg-htc.org/iid/mcejqenugk6j 11.07 478 NDSU-CCAST As a new contributor of resources to OSG, we would like to introduce our users to the grid and help them transition some of their jobs to OSG resources, as appropriate. Nick Dusek North Dakota State University Center for Computationally Assisted Science and Technology Multi-Science Community 14 OSG Connect https://osg-htc.org/iid/der850qlvoxm 30 803 NDSU_Yellavajjala A.I. Reinforcement Learning Algorithm Ravi Kiran Yellavajjala North Dakota State University Civil and Environmental Engineering Engineering 14 OSG Connect https://osg-htc.org/iid/der850qlvoxm 14 1944794325 ND_Chen Training AI models on public medical image data Danny Chen University of Notre Dame College of Engineering Engineering https://osg-htc.org/iid/mavkovkq2s0l 14.4701 1808238491 ND_Colon Looks into the use of transfer learning into the molecular framework space and application. Yamil J. Colón University of Notre Dame Chemical Engineering Chemical Engineering 14 OSG Connect https://osg-htc.org/iid/mavkovkq2s0l 14.07 1620059748 ND_Lalor Conduct research on efficient training for large language models and other analytics methods. My research uses GPU compute to evaluate the efficiency improvements of LLM training modifications to develop smaller, more efficient, and easier-to-train models that reduce the computational and cost burden. John Lalor University of Notre Dame Department of IT, Analytics, and Operations Computer and Information Sciences https://osg-htc.org/iid/mavkovkq2s0l 11 629748230 ND_Savoie Perform DFT calculations on organometallics for homogeneous and heterogeneous catalysis. Brett Savoie University of Notre Dame Department of Chemical and Biomolecular Engineering Chemical Engineering https://osg-htc.org/iid/mavkovkq2s0l 14.0701 1861907258 ND_Thain The Floability project (NSF CSSI 2411436) is developing techniques for creating reliable, scalable, and reproducible workflows that can be accessed through computational notebooks. Here, we are adapting atmospheric analysis codes using the Dask framework to use Dask + TaskVine so as to run effectively on preemptible resources on the OSG. This is a limited development and testing activity -- if successful, the codes will be passed to end users for production runs. Douglas Thain University of Notre Dame Dept of Computer Science and Engineering Computer Science https://osg-htc.org/iid/mavkovkq2s0l 11.0701 1431240493 ND_Whitmer Organic mixed ionic–electronic conductors (OMIECs) couple π-conjugated electronic pathways with ion transport. The process of ion insertion-deinsertion, which confers functionality, also produces pronounced electrochemical hysteresis, resulting in time-dependent shifts in the current-voltage response. My research is mainly about multi-scale simulation of organic mixed ionic-electronic conductors, especially focusing on the mechanism of electrochemical hysteresis by molecular dynamics simulations. Jonathan Whitmer University of Notre Dame Chemical and Biomolecular Engineering Chemical Engineering https://osg-htc.org/iid/mavkovkq2s0l 14.0702 85 NEESTools Earthquake Engineering is moving towards performance based engineering. Performance based engineering will potentially require and exponentially increase the amount of computation required of engineers as engineers move to incorporate risk and uncertainty associated with hazard, modeling, cost, material, etc. into the simulations. Currently those in research mostly are using the OpenSees (http://opensees.berkeley.edu) application to perform these calculations. This project aims at providing these researchers with access to current versions of OpenSees by utilizing resources to build the application on OSG resources. Frank McKenna University of California, Berkeley Civil Engineering Civil Engineering 30 OSG https://osg-htc.org/iid/7rhak0ujmsoe 14.08 24 NESCent NESCent promotes the synthesis of information, concepts and knowledge to address significant, emerging, or novel questions in evolutionary science and its applications. NESCent achieves this by supporting research and education across disciplinary, institutional, geographic, and demographic boundaries. Fabricia Nascimento Duke University NESCent Center Evolutionary Sciences 14 OSG Connect https://osg-htc.org/iid/v0pbd5jfz81s 26.13 433 NGNDA The goal of this project is to develop and deploy a novel computational platform for massive parallel analysis of high-dimensional brain networks. Caterina Stamoulis Harvard Medical School Medicine Medical Sciences 14 OSG Connect https://osg-htc.org/iid/n1kbnzl7kyiv 26 1553547974 NIAID_TBPortals Training AI models and CT image processing and analysis using these AI models. The collaboration is part of our TB Portals program https://tbportals.niaid.nih.gov/ Darrell Hurt National Institute of Allergy and Infectious Diseases Office of Cyber Infrastructure and Computational Biology Biological and Biomedical Sciences 14 OSG Connect https://osg-htc.org/iid/451cgt72wj62 26 614 NII The Michigan Neuroimaging initiative aims to enhance and expand neuroimaging research at the University of Michigan and to encourage collaboration with other neuroimaging researchers and researchers in other fields who can contribute innovative methods, computational resources, or new perspectives that will aid neuroimaging research. Bennet Fauber University of Michigan Neuroimaging Neuroscience 14 OSG Connect https://osg-htc.org/iid/4ocf9kvq30fn 26.15 828 NIST_CTCMS Staff in the Center for Theoretical and Computational Materials at the National Institute of Standards and Technology. Andrew Reid National Institute of Standards and Technology Center for Theoretical and Computational Materials Multi-Science Community 14 OSG Connect https://osg-htc.org/iid/2c1dbp9xe39x 30 1470556378 NIST_Cardone The project focuses on machine learning (ML)-aided design of antimicrobial peptides (AMP), viable therapeutic alternative to antibiotics. It builds upon an existing workflow that interrogates a database via API queries, creates suitable libraries, predicts AMP 3D structures through MC or MD simulations, and extract structure-based features (SbF). Antonio Cardone National Institute of Standards and Technology Information Technology Lab Bioinformatics https://osg-htc.org/iid/2c1dbp9xe39x 26.1103 1424836769 NIST_Jollota I will be working on Monte Carlo based simulations for radiation transport. This will aid in determination of primary standards for radiation sources that will be transferred to clinically relevant quantities. Sean Jollota National Institute of Standards and Technology Radiation Physics Division Physics https://osg-htc.org/iid/2c1dbp9xe39x 40.0801 1335741304 NJIT_Nadim Work is concerned with uncovering the principles of underlying neural circuit function. Farzan Nadim New Jersey Institute of Technology Biological Sciences Biological and Biomedical Sciences 14 OSG Connect https://osg-htc.org/iid/zhy58gsknnaw 26 1609036887 NMHU_Saikia Integrating advanced computational methodologies, including molecular docking, quantum chemical calculations, and molecular dynamics simulations to understand molecular behavior and interactions. Nabanita Saikia New Mexico Highlands University Chemistry Chemistry https://osg-htc.org/iid/4vt9q627ifxr 40.0506 1522370732 NMSU_Lawson I am requesting an OSPool project for my postdoctoral research investigating drivers of population decline for the American Kestrel, a raptor species that breeds across North America. I plan to use OSG resources to compile my environmental data and fit statistical models. Abigail Lawson New Mexico State University Fish, Wildlife, and Conservation Ecology Ecological and Environmental Sciences https://osg-htc.org/iid/zoe98r1f2ztc 1.0902 1752485673 NMSU_Sievert Research into the interaction of high-energy particles and jets with hot and cold nuclear matter. Matthew Sievert New Mexico State University Physics Physics https://osg-htc.org/iid/zoe98r1f2ztc 40.0806 2105544801 NMSU_Zhang UAV bridge inspection Qianyun Zhang New Mexico State University Civil Engineering Engineering https://osg-htc.org/iid/zoe98r1f2ztc 14.0803 650 NMSU_staff NMSU staff experimenting with OSG Strahinja Trecakov New Mexico State University ICT Cyber Infrastructure Architect Team Computer Science 14 OSG Connect https://osg-htc.org/iid/zoe98r1f2ztc 11.07 292073190 NOAA_Bell Water column sonar data, the acoustic back-scatter from the near surface to the seafloor, are used to assess physical and biological characteristics of the ocean including the spatial distribution of plankton, fish, methane seeps, and underwater oil plumes. Currently our catalog includes 270 TB of data that we are working to convert from a proprietary industry format into a cloud native Zarr format. Further documentation: <https://cires.gitbook.io/ncei-wcsd-archive/> Carrie Bell National Oceanic and Atmospheric Administration Cooperative Institute for Research in Environmental Sciences Ocean Sciences https://osg-htc.org/iid/dj8afwaycl7r 40.0607 1645547921 NOAA_Boyer https://www.ncei.noaa.gov/products/world-ocean-database The World Ocean Database (WOD) is the world's largest collection of uniformly formatted, quality controlled, publicly available ocean profile data. It is a powerful tool for oceanographic, climatic, and environmental research, and the end result of more than 20 years of coordinated efforts to incorporate data from institutions, agencies, individual researchers, and data recovery initiatives into a single database. WOD data spans from Captain Cook's 1772 voyage to the contemporary Argo period, making it a valuable resource for long term and historical ocean climate analysis. Original versions of the 20,000+ datasets in the WOD are available Tim Boyer National Oceanic and Atmospheric Administration CIRES Ocean Sciences https://osg-htc.org/iid/dj8afwaycl7r 30.3201b 137630307 NOAA_DucharmeBarth NOAA Fisheries uses stock assessments to monitor the condition of nearly 500 fish stocks and stock complexes (groups of similar stocks managed together). Stock assessments are scientific efforts that involve data collection, data processing, and mathematical modeling that estimate the health and size of a fish stock, measure how fishing affects the stock, and project harvest levels that achieve the largest sustainable long-term yield. Stock assessments are the backbone of sustainable fisheries management. These assessments allow us to evaluate and report the status of managed fisheries, marine mammals, and endangered/threatened species under the authorities of the Magnuson-Stevens Fishery Conservation and Management Act, the Marine Mammal Protection Act, and the Endangered Species Act. The outcome of this project will be to develop and document a workflow for running existing stock assessment platforms (e.g. StockSynthesis, Multifan-CL, Beaufort Assessment Model, etc.) on a distributed computing system in order to facilitate the script based, ‘simultaneous’ exploration of multiple alternative model configurations. This workflow can be used to develop a stock assessment in either the single best base case or ensemble model framework. This project will support hypothesis exploration, model ensembling, and improved automation of stock assessments. Nicholas Ducharme-Barth National Oceanic and Atmospheric Administration Pacific Islands Fisheries Science Center Natural Resources and Conservation 14 OSG Connect https://osg-htc.org/iid/dj8afwaycl7r 3.0301 1707378612 NOAA_Fisch My research aims to improve population models of fisheries resources so as to better facilitate seafood sustainability and our understanding of marine and freshwater populations. This involves the development of highly-parameterized non linear models requiring numerical solutions and numerical integration. Nicholas Fisch National Oceanic and Atmospheric Administration National Marine Fisheries Service Natural Resources and Conservation https://osg-htc.org/iid/dj8afwaycl7r 03 193312816 NOAA_Jech NOAA Fisheries mission is to manage sustainable fisheries, conserve protected marine species, and maintain healthy ecosystems in U.S. waters through science-based management and conservation. We collect data during standardized surveys on research cruises from Cape Hatteras to the Canadian Scotian Shelf. https://www.fisheries.noaa.gov/about/northeast-ecosystems-surveys Michael Jech National Oceanic and Atmospheric Administration NEFSC - Population & Ecosystems Monitoring & Analysis Division - Ecosystems Surveys Ocean Sciences https://osg-htc.org/iid/dj8afwaycl7r 03.0101 454366603 NOAA_Syslo The project uses a management strategy evaluation simulation framework to assess the implications of managing a multi-species complex of deep slope bottom fishes around Hawaii as a single stock. John Syslo National Oceanic and Atmospheric Administration Pacific Islands Fisheries Science Center Ocean Sciences https://osg-htc.org/iid/dj8afwaycl7r 03.0101 1406503170 NOAA_Vincent General research into improvement of fisheries stock assessment methods. Matthew Vincent National Oceanic and Atmospheric Administration Southeast Fisheries Science Beaufort Lab Natural Resources and Conservation 14 OSG Connect https://osg-htc.org/iid/dj8afwaycl7r 03 550122702 NOIRLab_Zhang Processing astronomical images from the Dark Energy Camera on the Blanco telescope for various research analyses. Perform scientific analyses on clusters of galaxies, features of massive galaxies, and measurements of weak gravitational lensing. Webpage: https://sites.google.com/view/astro-ynzhang/research Yuanyuan Zhang NOIR Lab Community Science and Data Center Astronomy and Astrophysics 14 OSG Connect https://osg-htc.org/iid/yeb48hoddvuh 40.0202 1615717190 NRAO_2022_Bhatnagar Research related to its operation of its high-sensitivity radio telescopes for use by scientists around the world. Sanjay Bhatnagar National Radio Astronomy Observatory Astronomy https://osg-htc.org/iid/2vy8kkzhno9o 40.0201 1559122107 NRAO_Bhatnagar Research related to its operation of its high-sensitivity radio telescopes for use by scientists around the world. Sanjay Bhatnagar National Radio Astronomy Observatory Astronomy https://osg-htc.org/iid/2vy8kkzhno9o 40.0201 30 NRELMatDB Ab initio calculation of the physical properties of 10^4 to 10^6 materials, database of results, and web site for access. Peter Graf National Renewable Energy Laboratory Computational Science Center Materials Science 14 OSG Connect https://osg-htc.org/iid/5eamxxwzykgj 40.1001 850 NSDF Project for the National Science Data Fabric's investigations of the Open Science Data Federation, and other data movement within the OSG Consortium. Frank Wuerthwein University of California, San Diego San Diego Supercomputing Center Computer Sciences 14 OSG Connect https://osg-htc.org/iid/06wup3aye2t7 11.0701a 1416814250 NSHE_SCS Group for University of Nevada staff members to explore the OSPool Zachary Newell Nevada System of Higher Education System Computing Services Group Research Computing 14 OSG Connect https://osg-htc.org/iid/qg1h77zyr2wl 11 180 NSLS2ID Using magnetic field measurements taken in the lab of undulators and wigglers we will compute the downstream photon spectrum and distributions for many configurations of many of the NSLS2 insertion devices, including wavefront propagation and beamline simulation where needed. Dean Andrew Hidas Brookhaven National Laboratory National Synchrotron Light Source II High Energy Physics 14 OSG Connect https://osg-htc.org/iid/g29k1hhqys0y 40.08 305 NSNM This model uses Matlab parallel programming to predict noise sensitive neuronal model. Vadim Apalkov Georgia State University Department of Physics and Astronomy Physics 14 OSG Connect https://osg-htc.org/iid/ybl3snr9pbs1 40.08 52 NWChem The goal of this work is to provide a federated heterogeneous infrastructure that can be federated on demand for scientists and scientific applications. The goal of this work is to integrate OSG as a part of the federated infrastructure cloud. The federation leverages the CometCloud software, currently being developed at Rutgers University. NWChem is the initial application to be used on OSG resources. A parallel in time algorithm will run multiple NWChem instances on the OSG resources, where each instance has different input parameters. The collective output of all instances is then gathered and analyzed. Manish Parashar Rutgers, The State University of New Jersey Electrical & Computer Engineering Computer and Information Science and Engineering 30 OSG https://osg-htc.org/iid/qrem5k97ikiv 11 1050359447 NWMissouri_2023_Chakraborty Photon and particle impact spectroscopy of atoms, fullerenes, endofullerenes, buckyonions, and metallic nanoparticles; Ultrafast attosecond and intercoulombic decay (ICD) processes in the above systems; Charge transfer in ion–nanostructured surface interactions Himadri Chakraborty Northwest Missouri State University Natural Sciences Physics https://osg-htc.org/iid/iehnhhh561io 30.9999c 929820562 NYCDSS_Staff Anomaly detection research across various cohorts based on user activity modeling. Sathish Ningaiah New York City Department of Social Services Human Resources Administration Computer and Information Science and Engineering https://osg-htc.org/iid/sg7tvfh0b232 11.0101 778 NYU_Fund Economics of telecommunications networks Fraida Fund New York University Electrical and Computer Engineering Electrical, Electronic, and Communications Engineering 14 OSG Connect https://osg-htc.org/iid/hjcl6b3vh3ox 14.1 124 NapusGenome Assembling the genome of a number of plant lines, and conducting RNASeq studies for the development of a transcriptome and differential expression analysis. Joel Bader Johns Hopkins University Department of Biomedical Engineering Biological Sciences 14 OSG Connect https://osg-htc.org/iid/3fml5tx2uhe0 26 187 NeoflAnnot Generation of a transcriptome for the copepod Neocalanus flamingeri in the gulf of Alaska. Petra Lenz University of Hawaii at Manoa Pacific Biosciences Research Center Biological Sciences 14 OSG Connect https://osg-htc.org/iid/34mcskejwysy 26 347 NeurOscillation Our lab studies the rhythms of the brain, recorded electrically as oscillations in voltage. These brain rhythms have been hypothesized to underlie functional communication between different brain regions, but the mechanism by which it does this is not clear. Additionally, it is not clear from a biophysical standpoint how these oscillations are generated. Our lab studies both noninvasive and clinical recordings from human subjects and patients in order to better understand these rhythms of the brain. For example, the project contact's personal research investigates the variations in the waveform shape of neural oscillations. Why are some oscillations nonsinusoidal (e.g. sawtooth), how does this impact neural communication, and how does this relate to high-level behaviors? Bradley Voytek University of California, San Diego Cognitive Science Neuroscience 14 OSG Connect https://osg-htc.org/iid/06wup3aye2t7 26.15 643 NeuroscienceGateway Neuroscience Gateway (NSG) Amit Majumdar University of California, San Diego San Diego Supercomputing Center Neuroscience 14 OSG Connect https://osg-htc.org/iid/06wup3aye2t7 26.1501 447909116 NichollsState_Whitaker Use genetic and epigenetic approaches to answer ecological and evolutionary questions with a specific interest in applications to conservation and management of species Justine Whitaker Nicholls State University Biological Sciences Biological and Biomedical Sciences 14 OSG Connect https://osg-htc.org/iid/3ksr8posuc81 26 398 Nipyperegtest Regression testing of various brain imaging tools Satrajit Ghosh Massachusetts Institute of Technology McGovern Institute for Brain Research Neuroscience 14 OSG Connect https://osg-htc.org/iid/jtlq7k0qkxtn 26.15 1988434100 Northeastern_Han Dr. Han and his lab focus on developing novel statistical and machine learning methods to leverage real-world data to improve decision-making, with a focus on public health and clinical medicine. This includes designing robust, efficient, and targeted estimators for learning causal effects using large-scale data generated from observational studies and randomized trials. Larry Han Northeastern University Department of Public Health and Health Sciences Statistics https://osg-htc.org/iid/454t2lfhcfpp 27.0501 723 Northeastern_RC NU RC serves the university’s entire research community and helps facilitate access to HPC resources either on premise or in the cloud. Raphael Schroter Northeastern University Information Technology Services - Research Computing Computer Science 14 OSG Connect https://osg-htc.org/iid/454t2lfhcfpp 11.07 1641205376 NorthwesternMed_Yadav Monte Carlo simulations of the Boltzmann radiation transport equation to investigate radiation absorbed dose delivered from megavoltage linear accelerators. Poonam Yadav Northwestern Medicine Department of Radiation Oncology Physics https://osg-htc.org/iid/awdbxa8mc2yw 51.2205 1610402708 Northwestern_Beckman This project develops a scalable, AI-powered image search system for the Sage national-scale edge computing cyberinfrastructure, enabling semantic retrieval across our database of sensor images. The system integrates AI models for captioning and embedding, hybrid vector/keyword search, and reranking to support scientific analysis in domains such as ecology and atmospheric science. More details are available at https://sagecontinuum.org/labs/image-search Peter Beckman Northwestern University Northwestern + Argonne Institute for Scientific and Engineering Excellence (NAISE) Advanced Scientific Computing https://osg-htc.org/iid/5vvknn2bzgvt 11.03 495 Nova Project entry corresponding to the Nova VO. Lisa Goodenough Fermilab N/A High Energy Physics 9 Fermilab https://osg-htc.org/iid/ik4s3ql8u1j7 40.0804 1460430150 OHSU_Katamreddy Cardiovascular disease occurs due to environmental factors like diet, exercise but also due to genetic predisposition. I want to work on finding genetic pathways that underlie the genesis cardiovascular disease. Please find link to my previous work on cardiovascular disease and medicine. ‪ Adarsh Katamreddy‬ - ‪Google Scholar‬ Adarsh Katamreddy Oregon Health & Science University Cardiovascular Medicine Medical Sciences 14 OSG Connect https://osg-htc.org/iid/90btatj2meqd 26.0907 518 ORISSWarp Using Warp to model ORISS to investigate the effects of intense space charge on the charged particle optics Steve Lund Facility for Rare Isotopes Beams (FRIB) Accelerator Systems Nuclear Physics 14 OSG Connect https://osg-htc.org/iid/e4p2um2dwe4j 40.0806 2 OSG-CSC00100 Develop a metric that measures the real similarities and differences between machine learning algorithms (in this case classifiers) based on output behavior. Previous study included 17 representative algorithms and used 30 datasets from the UCI Machine Learning Repository. The main goal of the current effort is to extend the metric using semi-supervised learning techniques. I would also like, if possible, to experiment with more recent datasets beyond what is traditional from the UCI Repository; and to add more algorithms to the study. George Rudolph The Citadel Mathematics and Computer Science Computer and Information Science and Engineering 30 OSG https://osg-htc.org/iid/jo5m3av5h4i9 11 6 OSG-Staff Integration and testing of science applications for new users Frank Wuerthwein OSG Computing Sector Computer and Information Science and Engineering 30 OSG XRAC CHTC-XD-SUBMIT UChicago_OSGConnect_login04 UChicago_OSGConnect_login05 TACC-Stampede2 TG-DDM160003 https://osg-htc.org/iid/8hgx4a4ptpt9 11.0701b 89 OSGOpsTrain Training project for OSG Operations staff. Rob Quick Open Science Grid GOC Community Grid 14 OSG Connect https://osg-htc.org/iid/8hgx4a4ptpt9 30.3001 1329542929 OSGUserSchool2022 Group for OSG User School 2022 participants Tim Cartwright University of Wisconsin–Madison Computer Sciences Research Computing 14 OSG Connect https://osg-htc.org/iid/fq8thqsj99zh 11.0701b 806 OSGUserTrainingPilot User training Christina Koch Open Science Grid OSGConnect Training 14 OSG Connect https://osg-htc.org/iid/8hgx4a4ptpt9 30.3001 1875355523 OSG_OSGUS24 Work run by participants in the 2024 OSG School Tim Cartwright University of Wisconsin–Madison Computer Sciences Research Computing https://osg-htc.org/iid/fq8thqsj99zh 11.0701b 1691622291 OSG_OSGUS25 Work run by participants in the 2025 OSG School Tim Cartwright University of Wisconsin–Madison Computer Sciences Research Computing https://osg-htc.org/iid/fq8thqsj99zh 11.0701b 1942455935 OSG_SoftwareInventory OSG Security Team collaboration group currently working on building a worker node scanning tool. They are using OSG Connect for testing this tool. This group of researchers will likely evolve over time, as will their projects and collaborations. As of October 2024, Mike Stanfield is a point of contact. Mark Krenz OSG Computing Sector (OSG Security Team) Computer and Information Science and Engineering 30 OSG https://osg-htc.org/iid/8hgx4a4ptpt9 43.0404 480 OSURHIT Experimentally calibrated event-by-event simulations of high-energy heavy-ion collisions. Numerical implementation of optimized dissipative relativistic fluid dynamics. Ulrich Heinz Ohio State University Physics Department Nuclear Physics 14 OSG Connect https://osg-htc.org/iid/984ms2rzh7do 40.0806 200596498 OSU_Furnstahl BAND collaboration (https://bandframework.github.io) - developing advanced statistical methods to quantify uncertainties in model-data comparisons and predictions. Simulating heavy-ion collisions at RHIC and LHC to study the evolution of nuclear matter under extreme conditions. Richard Furnstahl The Ohio State University Department of Physics Nuclear Physics https://osg-htc.org/iid/984ms2rzh7do 40.0806 1342591312 OSU_Theisen We are creating an automated, user-friendly RNA-Seq pipeline addressing challenges of standardization and reproducibility. It features a point-and-click interface for non-experts and is publicly available in github. https://www.biorxiv.org/content/10.1101/2024.12.20.629844v1 Emily Theisen The Ohio State University Childhood Cancer Research Biological and Biomedical Sciences https://osg-htc.org/iid/984ms2rzh7do 26.9999 832 OSU_Weinberg The project is about analyzing behaviors and primitives of market participants so that we can quantify effects coming from the changes in market competition, structure, policies, etc. Matthew Weinberg The Ohio State University Economics Economics 14 OSG Connect https://osg-htc.org/iid/984ms2rzh7do 19.0402 458 OTPCand0vbb PSEC group at the University of Chicago is developing Large-Area Picosecond Photo-Detectors (LAPPDs). By reconstructing the arrival position and time of photons produced in water or liquid scintillator on highly segmented fast photo-detectors such as LAPPDs one can reconstruct tracks by using the `drift time' of photons, much as one does with electrons in a Time Projection Chamber. We are developing new event reconstruction techniques for large water and liquid scintillator detectors. For example see A. Elagin et al., “Separating Double-Beta Decay Events from Solar Neutrino Interactions in a Kiloton-Scale Liquid Scintillator Detector by Fast Timing”, Nucl. Instr. Meth. Phys. Res. A849 (2017) 102. Henry Frisch University of Chicago Physics High Energy Physics 14 OSG Connect https://osg-htc.org/iid/o14joi278jrs 40.08 1919669415 OU_2023_Wang This project is focused on computational simulations of materials chemistry, physics and engineering with an emphasis on nanoscale materials, using density functional theory (DFT) calculations and molecular dynamics simulations. In particular, we are interested in advanced energy materials and their applications in catalysis, molecular sensors, and energy conversion. Bin Wang University of Oklahoma School of Sustainable Chemical, Biological, and Materials Engineering Chemical Engineering https://osg-htc.org/iid/xvsrc4eixk2g 14.0701 1417716994 ObGyn_Ong Research is multidisciplinary, covering data mining, artificial intelligence, machine learning, probabilistic methods, dynamical models, inductive logic programming, and statistical relational learning with applications to biological and medical data. Particularly interested in the integration and analysis of clinical, genomics, transcriptomics, proteomics, immunome, metagenomics, metabolomics, and other molecular data especially as it pertains to precision medicine. Irene Ong University of Wisconsin–Madison Department of Obstetrics and Gynecology Biostatistics https://osg-htc.org/iid/fq8thqsj99zh 26.0911 86 Orbiter The goal of this project is to create farmed data in the form of classifications of discrete structures from mathematics. This data farm can be used to support discovery of new objects and constructions. Anton Betten Colorado State University Department of Mathematics Mathematical Sciences 14 OSG Connect https://osg-htc.org/iid/2aj5pa9etoc7 27 717 OregonState_Simon Generation and Testing of Hypothetical Metal-Organic Frameworks Cory Simon Oregon State University Chemical, Biological and Environmental Engineering Physics 14 OSG Connect https://osg-htc.org/iid/h0s7lk6vj9dn 40.08 1737252682 OregonState_Staff Requesting access as a facilitator to demonstrate job submission to potential applicants. Christopher Thompson Oregon State University College of Engineering Computer Science https://osg-htc.org/iid/h0s7lk6vj9dn 11.0101 61 P0-LBNE LBNE will endeavor to perform precision measurements of key parameters pertaining to neutrino oscillations, advancing our understanding of some of the most fundamental issues in particle physics, such as neutrino mass hierarchy, nucleon decay and a few other others. The Software and Computing Organization of LBNE is tasked with providing core infrastructure for its Physics Tools development and data processing, which will need to accommodate the needs of a diverse and distributed research organization. Maxim Potekhin Brookhaven National Laboratory Physics High Energy Physics 30 OSG https://osg-htc.org/iid/g29k1hhqys0y 40.08 742721698 PATh-Staff-Testing Test project for the PATh team. Miron Livny University of Wisconsin–Madison Computer Sciences Computer Science https://osg-htc.org/iid/fq8thqsj99zh 11.0701b 88972564 PATh_MLSupplement Project for the PATh supplement investigating impact of hetergenous resources on ML model training Miron Livny University of Wisconsin–Madison Computer Sciences Computer Science https://osg-htc.org/iid/fq8thqsj99zh 11.0101 364 PBOSD Probability-based structural design has now emerged as the most advanced methodology to design new and retrofit existing structures in the face of uncertainty. The focus of our research lies at the intersection of the areas of structural engineering and risk engineering against natural hazards (e.g., earthquakes). A large number of computationally-demanding Finite Element simulation jobs need to be run as part of our research using open source software (e.g., OpenSees, Dakota) and script languages (e.g., Matlab, Python). Thus, the used of high-throughput computing resources will be central for the success of our potentially high-impact research on probability-based optimum structural design against natural hazards. Yong Li University of California, San Diego Structural Engineering Civil Engineering 14 OSG Connect https://osg-htc.org/iid/06wup3aye2t7 14.08 369 PCFOSGUCSD Work submitted as part of the physics computing facility (PCF) at the physics department at UCSD Frank Wuerthwein University of California, San Diego Physics Department Physics 4 UCSD https://osg-htc.org/iid/06wup3aye2t7 40.08 516 PNGtemplate This project aims at creating population-specific templates that target adolescent athletes, based on the T1-weighted images from Purdue Neurotrauma Group (PNG) longitudinal datasets. Joseph Rispoli Purdue University Biomedical Engineering Medical Imaging 14 OSG Connect https://osg-htc.org/iid/oe09ae0p2pmj 51 334 POLARBEAR The evolution of the universe is based on the idea of gravitational instability, whereby initial tiny fluctuations in the density of the Universe grew under the influence of gravity to form the large-scale gravitational structures we see around us today. These structures bend the trajectories of Cosmic Microwave Background photons through gravitational lensing, distorting its primordial polarization and converting divergent polarization patterns (E-modes) into curled polarization patterns (B-Modes). Imaging the lensing-generated B-modes, the POLARBEAR telescope will be able to shed light on all the components of the Universe influencing structure formation, such as neutrino mass and dark energy. Brian Keating University of California, San Diego Physics Astrophysics 14 OSG Connect https://osg-htc.org/iid/06wup3aye2t7 40.0202 786 PRP The PRP is a partnership of more than 50 institutions, led by researchers at UC San Diego and UC Berkeley. The PRP builds on the optical backbone of Pacific Wave, a joint project of CENIC and the Pacific Northwest GigaPOP (PNWGP) to create a seamless research platform that encourages collaboration on a broad range of data-intensive fields and projects. Thomas A. DeFanti University of California, San Diego Calit2 Computer Science 14 OSG Connect https://osg-htc.org/iid/06wup3aye2t7 11.07 754 PRP Machine Learning HTCondor submission from PRP Nautilus Tom DeFanti Pacific Research Platform Pacific Research Platform Machine Learning/AI 14 OSG Connect https://osg-htc.org/iid/06wup3aye2t7 11.0102 335 PRTH Modeling of Monte Carlo simulations (Geant4) in order to test many different parameters (collimator and shielding size, irradiation angles...) to define the best design for new medical nuclear treatment devices Endre Takacs Clemson University Astronomy and Physics Physics 14 OSG Connect https://osg-htc.org/iid/ricyf18amt49 40.08 435 PSFmodeling We need to use Monte-Carlo simulation to obtain the point spread function (PSF) kernels to be incorporated into our image reconstruction algorithm for more accurate image reconstruction Paul Vaska State University of New York at Stony Brook Biomedical Engineering Biological Sciences 14 OSG Connect https://osg-htc.org/iid/qqd2s2b6m7eh 14.0501 1109357763 PSI_Kaib I will be using computer simulations to model the orbital evolution of comets and asteroids over the lifetime of the solar system. In addition, I will be studying the stability of the solar system and Kuiper belt as it is subjected to close flybys of other stars in the Milky Way. https://www.psi.edu/about/staffpage/nkaib Nathan Kaib Planetary Science Institute Planetary Science Institute Astronomy and Astrophysics https://osg-htc.org/iid/rdbhaweq480i 40.0202 698705291 PSU_Anandakrishnan Penn State Ice and Climate Exploration is an interdisciplinary group of researchers from across the university dedicated to a better understanding of the cryosphere. Sridhar Anandakrishnan Pennsylvania State University Geosciences Geological and Earth Sciences 14 OSG Connect https://osg-htc.org/iid/f1tlj6c19ppg 40.06 772 PSU_Chen Computing high-throughput thermodynamic properties and domain structures of lead-free ferroelectric materials and their heterostructures Long-Qing Chen Pennsylvania State University Materials Science and Engineering Materials Science 14 OSG Connect https://osg-htc.org/iid/f1tlj6c19ppg 40.1001 443747465 PSU_Kennea Swift BAT data to localize Gamma-ray Bursts Jamie Kennea Pennsylvania State University Department of Astronomy and Astrophysics Astronomy 14 OSG Connect https://osg-htc.org/iid/f1tlj6c19ppg 40.02 1959580719 PSU_Lynch OpenSimRoot is an open-source, 3D functional–structural plant model that simulates root system architecture 3 dimensionally, accounting for interactions between soil physical properties, root growth and associated metabolic costs thus enabling study of the value of root traits for resource acquisition and plant growth. As a research tool it supports experimental designs and mechanistic understanding of underlying processes. We aim to understand plant–soil interactions in a wide range of soil taxa, especially with respect to degraded soils in developing countries, in order to address the knowledge gap that is critical for global food security. https://plantscience.psu.edu/research/labs/roots/methods/computer-analysis-tools https://plantscience.psu.edu/research/labs/roots/publications/overviews/opensimroot-widening-the-scope-and-application-of-root-architectural-models https://rootmodels.gitlab.io/ Jonathan Lynch Pennsylvania State University Plant Science Plant Biology https://osg-htc.org/iid/f1tlj6c19ppg 01.1101 1063922570 PSU_Rechtsman Laboratory for emergent phenomena and technology in the optical sciences Mikael Rechtman Pennsylvania State University Physics Physics 14 OSG Connect https://osg-htc.org/iid/f1tlj6c19ppg 40.08 764 PSU_Staff Research computing staff at Penn State Carrie Brown Pennsylvania State University Information Technology Computer Sciences 14 OSG Connect https://osg-htc.org/iid/f1tlj6c19ppg 11.0701a 1951126972 PSU_Yamamoto A machine learning-based 3D reconstruction of highly porous cement samples cured in a microgravity environment is being pursued. The approach follows a deep learning-based framework based on the solid texture synthesis method, widely adopted in the computer graphics community. Preliminary results https://doi.org/10.2514/6.2023-2025 showed promising results, and with increased computational resources, larger exemplars higher resolution will be used for 3D reconstruction. Namiko Yamamoto Pennsylvania State University Aerospace Engineering Aerospace, Aeronautical, and Astronautical Engineering 14 OSG Connect https://osg-htc.org/iid/f1tlj6c19ppg 14.0201 1129754086 PSU_Zhu Our research focuses on computational and data-driven approaches in clinical chemistry and translational laboratory medicine. The work involves analysis of large-scale biomedical datasets (including population-level cohorts), biomarker evaluation, and development of quantitative models to study disease associations and laboratory test performance. Yusheng Zhu Pennsylvania State University Pathology & Laboratory Medicine Medical Sciences https://osg-htc.org/iid/f1tlj6c19ppg 51.1401 306 PTMC We are applying Monte Carlo particle transport codes to proton therapy treatment planning with the goal of reducing the uncertainty in the proton beam range in patient. Derek Dolney University of Pennsylvania Radiation Oncology Molecular and Structural Biosciences 14 OSG Connect https://osg-htc.org/iid/nv2rjrft01gg 26 151 PainDrugs Virtual screening for novel anesthetic compounds. Pei Tang University of Pittsburgh Anesthesiology Medical Sciences 14 OSG Connect https://osg-htc.org/iid/2ayx10b74xua 26 581 PanEn Parallel Analog Ensemble (PAnEn) is a parallel implementation for the Analog Ensemble (AnEn) technique which generates uncertainty information for a deterministic predictive model. Guido Cervone Pennsylvania State University Geography Geography 14 OSG Connect https://osg-htc.org/iid/f1tlj6c19ppg 45.0701 193 Paniceae-trans Processing of Transcriptome data from many species across the grass tribe Paniceae Jacob Washburn University of Missouri Biological Sciences Evolutionary Sciences 14 OSG Connect https://osg-htc.org/iid/dohu2f6ba08u 26.13 25 PathSpaceHMC The goal of this research is to develop a computational tool that can uncover the pathway and the transition states that exist when a molecule changes conformation or when it chemically changes. In many such circumstances, a process must overcome an energy barrier before proceeding to completion. If the size of the barrier is large compared to the available thermal energy, a process must rely on the occurrence of one or more rare events. For such circumstances, one would like to understand the reaction pathways so as to improve yields, or as in the case of protein folding, to understand the intermediate states. Many simple processes have been explored using theoretical tools such as molecular dynamics, where the movements of individual atoms are calculated. However, when the barrier is large, crossing the relevant barrier is indeed a very rare event. Although computer speeds have been doubling every 18 months (a consequence of Moore's law), the exponentially long waiting times necessary for barrier hopping pushes the required computational effort out of the feasibility range for all but the simplest models. To explore these barrier-limited processes, we are developing a novel computational technique to sample the paths themselves in a thermodynamically significant manner. Frank Pinski University of Cincinnati Physics Computational Condensed Matter Physics 14 OSG Connect https://osg-htc.org/iid/52f5piuly2gg 40.0808 194 PegasusTraining Project used for Pegasus tutorials and training Mats Rynge University of Southern California ISI Training 9 ISI https://osg-htc.org/iid/6edduwj65dlr 30.3001 835 PennState_Hanna Detection of gravitational waves from compact binary sources Chad Hanna Pennsylvania State University Physics Physics 14 OSG Connect https://osg-htc.org/iid/f1tlj6c19ppg 40.08 642 PercARsolar Project entails the participation of a number of students in a graduate level class in running a code that simulates the evolution of solar active regions as a percolation phenomenon. A number of students will continue the research as part of their Master's thesis at Chicago State University. Computationally, the project builds upon work done previously by Seiden and Wentzel, by adding a new algorithm in tracking the polarity of the magnetic field structures on the solar photosphere. Requirements for the project is python version 3+. Typical single core walltime of each job is 1 hour for a modest resolution of a 2D grid. Upper limit of walltime is about 3 hours for the highest resolution consistent with the limitations of the algorithm.The project seeks to determine the steady state of the solar cycle by varying the emergence and diffusion probability parameters of magnetic flux tubes. The percolation engine is inherently chaotic and finely tuned values for these parameters are sought in a sweep of the probability space through a large volume of jobs. Pascal Paschos Chicago State University Astronomy Astronomy 14 OSG Connect https://osg-htc.org/iid/mgbbuoiqiwpe 40.02 333 Perchlorate Assessment of costs and environmental impacts of drinking water technologies for the removal of perchlorate Justin M Hutchison University of Illinois Civil and Environmental Engineering Engineering 14 OSG Connect https://osg-htc.org/iid/y691qclum4cv 14 542834173 Pharmacy_Kwan The Kwan lab uses culture-independent (metagenomic) sequencing and molecular biology to understand how and why bioactive small molecules are produced by bacteria. Jason Kwan University of Wisconsin–Madison Pharmacy Health https://osg-htc.org/iid/fq8thqsj99zh 51.2003 59 Pheno The goal of this project is to test and validate the Sherpa and Blackhat software for particle physics phenomenology at the Large Hadron Collider (LHC), and to perform studies which are directly applicable to physics analyses in the LHC experiments ATLAS and CMS. Sherpa is a complete Monte-Carlo event generation framework for collider experiments. Hard scattering events are simulated using perturbative QCD at the leading or the next-to-leading order with the help of BlackHat. QCD Resummation is implemented by an in-house parton shower model based on the dipole factorization approach. Hadronization is performed in a cluster model and a complete hadron decay simulation is included in the program. BlackHat is a program library to compute virtual corrections in perturbative QCD based on generalized unitarity methods. It is used to produce particle-level cross sections for phenomenologically relevant signal and background reactions of high particle multiplicity at the Large Hadron Collider. Recent progress achieved with the combination of BlackHat and Sherpa is described at https://twiki.grid.iu.edu/bin/view/Management/Nov2012Newsletter#Precision_Event_Simulation_for_t Stefan Hoeche SLAC National Accelerator Laboratory Theory Group High Energy Physics 30 OSG https://osg-htc.org/iid/gsbt8law2xf0 40.08 178 Phylo In this project, we design, implement, and test new methods for phylogenomics analyses. The goal of phylogenomics, as used here, is to estimate a species tree from genomic data. The ultimate goal of this line of research is reconstructing the tree of life. Siavash Mirarab University of California, San Diego Electrical and Computer Engineering Bioinformatics 14 OSG Connect https://osg-htc.org/iid/06wup3aye2t7 26.1103 157 Phylogenomics The project entails the sequencing and assembly of the transcriptomes of 100+ non-model tree species from the USA and China. This information is then used to infer a functional phylogenomic tree from which inferences regarding functional similarity and species co-existence and diversity are drawn. Nathan G Swenson University of Maryland Department of Biology Bioinformatics 14 OSG Connect https://osg-htc.org/iid/h5syhdikri9a 26.1103 1774953417 Physics_Joynt The Joynt research group works in a number of different areas of theoretical physics, but particularly in quantum computing and condensed matter physics. Robert Joynt University of Wisconsin–Madison Physics Physics https://osg-htc.org/iid/fq8thqsj99zh 40.0808 2038770323 Physics_Soley https://www.physics.wisc.edu/directory/soley-micheline/ Micheline Soley University of Wisconsin–Madison Physics Physics https://osg-htc.org/iid/fq8thqsj99zh 40.0802 532433932 Physino_Liu Sharing GEANT4 and related datasets in both the Liu research group (at University of South Dakota) and with collaborators at national labs. Jing Liu University of South Dakota Physics Particle Physics https://osg-htc.org/iid/it45nx81xgfl 40.0804 1422338289 Pitt_Aizenstein We are applying novel machine learning methods to predict late life depression treatment response using neuroimaging data. We would utilize the computing resources to preprocess large amounts of neuroimaging data. Howard Aizenstein University of Pittsburgh Department of Bioengineering Biological and Biomedical Sciences 14 OSG Connect https://osg-htc.org/iid/2ayx10b74xua 26.0102 1879435385 Pitt_Han Our research focuses on collider phenomenology, studying phenomena at the LHC and future colliders such as the FCC-ee, FCC-hh, and the muon collider. We aim to test the predictions of the Standard Model (SM) and search for potential new physics beyond the SM. To achieve this, we rely on Monte Carlo simulations to generate and analyze high-energy collision events, enabling us to explore both established theories and new physics scenarios. Tao Han University of Pittsburgh Department of Physics and Astronomy Physics https://osg-htc.org/iid/2ayx10b74xua 40.0801 626 Pitt_Koes Deep Learning for Drug Discovery David Ryan Koes University of Pittsburgh Department of Computational and Systems Biology Physical Chemistry 14 OSG Connect https://osg-htc.org/iid/2ayx10b74xua 40.0506 544 PixleyLab Condensed matter theory including quantum phase transitions of many-body systems Jedediah Pixley Rutgers, The State University of New Jersey Physics Physics 14 OSG Connect https://osg-htc.org/iid/qrem5k97ikiv 40.0808 31 PlantBio Investigation of plant-pathogen interactions using genome-wide association mapping. Joy Bergleson University of Chicago Ecology and Evolution Plant Biology 14 OSG Connect https://osg-htc.org/iid/o14joi278jrs 26.03 1905181855 PlantPathology_Gluck-Thaler Our mission is to understand the origins and outcomes of fungal interactions that threaten plant and human health. Emile Gluck-Thaler University of Wisconsin–Madison Plant Pathology Plant Biology https://osg-htc.org/iid/fq8thqsj99zh 26.0305 388874330 PlantPathology_SolisLemus We work to develop statistical models to answer biological questions, balancing biological interpretability, theoretical guarantees, and computational tractability. Claudia Solis-Lemus University of Wisconsin–Madison Plant Pathology Statistics https://osg-htc.org/iid/fq8thqsj99zh 27.0601 443 PopDy Population dynamics across all species including human being. The life history, energy consumption, mortality pattern, and evolution paths and directions. Shripad Tuljapurkar Stanford University Biology Biological Sciences 14 OSG Connect https://osg-htc.org/iid/keucrg5vtwtm 26 520 PorousMaterials Calculating adsorption properties for porous materials using Monte Carlo algorithms or simulating Henry constants using Widom insertions. This is accomplished using a Julia code our group has developed, PorousMaterials.jl Cory Simon Oregon State University Chemical, Biological and Environmental Engineering Chemical Engineering 14 OSG Connect https://osg-htc.org/iid/h0s7lk6vj9dn 14.07 666 PortlandState_Feng Vulnerable Ethereum Smart Contract Registry Wu-chang Feng Portland State University Computer Sciences Computer Science 14 OSG Connect https://osg-htc.org/iid/26b8vvvqixd6 11.07 140483721 PortlandState_OIT Office of information technology staff at PDX Gary Sandine Portland State University OIT Computer Sciences 14 OSG Connect https://osg-htc.org/iid/26b8vvvqixd6 11.0701a 1079626152 PortlandState_Venkatachalapa Conducting graduate thesis research on an evolutionary game-theoretic model in which games are played sequentially amongst a large population of agents distributed over various social network structures. The goal of this research is to characterize the population-level social dynamics of the system as social "norms" shift to different meta-stable equilibria. Rajesh Venkatachalapathy Portland State University Complex Systems Social Science https://osg-htc.org/iid/26b8vvvqixd6 45.1101 319 PreBioEvo We use simulations Kauffman-like model to study the probability of life forming on other planets. This project is supported by a NASA grant and is part of their Astrobiology mission. Reference: A. Wynveen, I. Fedorov, and J. W. Halley, Nonequilibrium steady states in a model for prebiotic evolution, Physical Review E 89 , 022725 (2014) We use simulations of a Kauffman-like model for prebiotic evolution to find the probabilities of lifelike steady states and study their properties. This project is supported by a NASA grant. References: A. Wynveen, I. Fedorov, and J. W. Halley, Nonequilibrium steady states in a model for prebiotic evolution, Physical Review E 89 , 022725 (2014) (https://doi.org/10.1103/PhysRevE.89.022725) B. F. Intoy, A. Wynveen, and J. W. Halley, Effects of spatial diffusion on nonequilibrium steady states in a model for prebiotic evolution, Physical Review E 94 , 042424 (2016) (https://doi.org/10.1103/PhysRevE.94.042424) J. Woods Halley University of Minnesota Physics Biophysics 14 OSG Connect https://osg-htc.org/iid/3chofmlz7p5r 26.02 1698844716 Princeton_Hasling An interdisciplinary institute designed to bring together faculty and researchers from diverse backgrounds leveraging their broad expertise to address new and relevant computational problems and thereby contribute to the body of scientific knowledge. PICSciE provides state-of-the-art computing and visualization facilities in collaboration with Research Computing, academic departments, and institutional partners. William Hasling Princeton University Research Computing Department Computer and Information Services https://osg-htc.org/iid/ao845i5pul3m 30.7001 48328218 Princeton_Jamieson studying channel modeling using AI/ML techniques. Ray tracing and improving upon 3GPP standardized channel models are our goals. Kyle Jamieson Princeton University Princeton Advanced Wireless Systems Lab Electrical, Electronic, and Communications https://osg-htc.org/iid/ao845i5pul3m 14.1 174 ProbTracx Graph theory analyses would be investigated on weighted undirected matrices based on the probability of white matter connectivity between 26 regions comprising both cortical and subcortical structures on children with epilepsy with and without anxiety disorders. This project aims at investigating if there are fundamental differences in structural connectivity in children with idiopathic epilepsy with and without anxiety comorbidity. The neuropsychological implications of potential differences between groups would also be investigated. Dr. Bruce P. Hermann University of Wisconsin–Madison Department of Neurology Neuroscience 14 OSG Connect https://osg-htc.org/iid/fq8thqsj99zh 26.15 139 ProtEvol How large a role does history play in evolution? Do later events depend critically on specific earlier events, or do all events occur more or less independently? If a change occurs early in evolution, does it become easier or harder to revert the change as time proceeds? We intend to explore these ideas in the context of protein evolution, by simulating sequence evolution under purifying selection and then systematically permuting the order of amino-acid substitutions. Premal Shah University of Pennsylvania Biology Evolutionary Sciences 14 OSG Connect https://osg-htc.org/iid/nv2rjrft01gg 26.13 95 ProtFolding Study statistical machine learning and optimization algorithms for data-driven protein structure prediction, by learning sequence-structure relationship from existing protein sequence and structure data. Jinbo Xu Toyota Technological Institute at Chicago Computer Science Bioinformatics 14 OSG Connect https://osg-htc.org/iid/hgmyhtpshdy9 26.1103 87 Proteomics Bioinformatics methods for different proteomic applications in life sciences. Algorithm development for improving mass-spectrometry based proteomic techniques. Sam Volchenboum University of Chicago Computation Institute Bioinformatics 14 OSG Connect https://osg-htc.org/iid/o14joi278jrs 26.1103 1798106356 Psychology_Curtin https://arc.psych.wisc.edu/ John Curtin University of Wisconsin–Madison Psychology Other Social Sciences https://osg-htc.org/iid/fq8thqsj99zh 42.2813 121406492 Psychology_Rogers We are interested in understanding human semantic memory: our store of knowledge about the meanings of words, objects and events. Specifically, we would like to understand how semantic knowledge is represented and processed in the mind and brain, how it is acquired throughout development, how semantic tasks are performed by healthy adults and experts, and how various forms of brain damage can disrupt semantic knowledge. We address these questions using computer models, functional neuroimaging, and behavioral studies. Timothy Rogers University of Wisconsin–Madison Psychology Neuroscience https://osg-htc.org/iid/fq8thqsj99zh 26.1599b 844 Purdue_Aggarwal Our labs works towards developing efficient machine learning algorithms for real-world problems. Some of the applications that we focus on are social influence maximization, recommender systems, and ride-sharing and goods delivery. Vaneet Aggarwal Purdue University Industrial Engineering Computer Sciences 14 OSG Connect https://osg-htc.org/iid/oe09ae0p2pmj 11.0701a 819394515 Purdue_Pienaar Our systems pharmacology approach constructs multi-scale, hybrid computational models that describe host immune, pathogen and drug dynamics within an infected patient. In close collaborations with experimentalists, we integrate these computational models with multiple in vitro and in vivo datasets to: predict drug efficacy, optimize treatment, identify new drug targets, and inform future experiments; all in the context of complex host-pathogen-drug interactions. Elsje Pienaar Purdue University West Lafayette Biomedical Engineering Engineering https://osg-htc.org/iid/y2m2tk3a8pp6 14.0501 1851111814 Purdue_Sharma Investigating protein-protein interactions related to the human immune system. Other projects include immune protein-drug interactions. We mainly use molecular dynamics simulations and molecular coking methodologies for our study. Arjun Sharma Purdue University Fort Wayne Department of Chemistry and Biochemistry Chemistry https://osg-htc.org/iid/dgsgv9qbvgce 40.0511 619 QCArchive_Smith The compute will be used for community facing data. This will include generating data for open AI datasets and computing molecules for undergraduate education. Daniel G. A. Smith Virginia Tech University Molecular Sciences Software Institute Physical Chemistry 14 OSG Connect https://osg-htc.org/iid/6oylis0t2x6u 40.0506 186 QEvolBiol Quantitative approaches to evolutionary biology including numerical analysis of mathematical models of evolutionary change and individually-based simulations of population dynamics, mutation, natural selection, and other evolutionary forces. Jeremy Van Cleve University of Kentucky Biology Biological and Critical Systems 14 OSG Connect https://osg-htc.org/iid/532yhevnxlxc 26 348 QGIS This project is created to explore QGIS and analyze solar suitability in South Carolina. Patricia Carbajales-Dale Clemson University Clemson Center for Geospatial Technologies Geographic Information Science 14 OSG Connect https://osg-htc.org/iid/ricyf18amt49 45.0702 1873230993 QLHC_Chapple Researching ways to optimize our clinical trials from a statistical methodology standpoint. This includes ensuring that more patients can receive active experimental drugs that show promise, minimizing patient exposure to experimental drugs that are not working well, and also maximizing the likelihood of graduating experimental drugs that truly improve patient outcomes. This may require development of new statistical methodologies which are validated via simulation. More information about QLHC can be found here: https://www.quantumleaphealth.org/ Andrew Chapple Quantum Leap Healthcare Collaborative Biometrics Statistics https://osg-htc.org/iid/v6rhf2mqq4rb 27.0503 357 QMC Our project uses Quantum Monte Carlo (QMC) methods for energy calculations on molecular systems of interest. Andrew Powell Missouri University of Science and Technology Chemistry Chemistry 14 OSG Connect https://osg-htc.org/iid/a5fyyhl121i9 40.05 447 QuantEvol Simulations of evolution of quantitative characters in finite populations Shripad Tuljapurkar Stanford University Biology Biological Sciences 14 OSG Connect https://osg-htc.org/iid/keucrg5vtwtm 26 54 RADICAL RADICAL: SAGA / BigJob OSG / XSEDE interoperability and Python APIs for OSG / Condor / iRODS. Shantenu Jha Rutgers, The State University of New Jersey Computer Science Computer and Information Science and Engineering 14 OSG Connect https://osg-htc.org/iid/qrem5k97ikiv 11 29 RDCEP Robust Decision Making on Climate and Energy Policy (RDCEP) The Center for Robust Decision Making on Climate and Energy Policy conducts research in four main areas: * Improving the fidelity of models used to forecast the impact of policies on future economic and climatic conditions. Many of the most decision-relevant aspects of climate and energy policy - for example, climate impacts and technological advances - are poorly or not at all represented in current policy analysis tools. The Center will build representations of the most important processes and increase model detail and resolution. * Quantifying sensitivities and uncertainties in the parameters, processes, and impacts in models. RDCEP will develop methods to characterize the dependence of model output on input, parameter, and model uncertainty; incorporate these uncertainties in models; and study how to communicate probabilistic model output to decision makers. * Identifying robust decisions in the face of uncertainty. The best policy is not necessarily that which produces the maximum return if all assumptions made are borne out, but the one that balances return and risk in the face of many uncertainties. The Center will develop models to identify robust strategies that perform well over a wide range of scenarios. * Developing improved computational methods and numerical methods required to achieve these goals. New parallel stochastic dynamic programming, robust optimal control, and numerical optimization methods able to make full use of modern supercomputers will allow tools developed at the Center to incorporate sectoral and process detail and explore uncertainty, in ways not previously possible. Ian Foster University of Chicago Computation Institute Economics 14 OSG Connect https://osg-htc.org/iid/o14joi278jrs 52.1304 346 REDTOP High intensity frontier experiment searching for physics beyond the Standard Model Corrado Gatto Fermilab Particle Physics High Energy Physics 14 OSG Connect https://osg-htc.org/iid/ik4s3ql8u1j7 40.0804 10 RIT Ramsey theory studies the properties that combinatorial structures need in order to guarantee that desired substructures are contained within them. It is often seen as the study of the order that comes from randomness, and has applications in mathematics, computer science, finance, economics, and other areas. Our research involves a computational approach to establishing the values of various Ramsey numbers, whose role is to quantify the general existential theorems in Ramsey theory. Stanisław P. Radziszowski Rochester Institute of Technology Computer Science Computer and Information Science and Engineering 30 OSG https://osg-htc.org/iid/khe0lt7x352p 11 735 RIT_KGCEval TBD Carlos R. Rivero Osuna Rochester Institute of Technology Computing and Information Sciences Computer Science 14 OSG Connect https://osg-htc.org/iid/khe0lt7x352p 11.07 740 RIT_ResearchComputing Research Computing staff at the Rochester Institute of Technology (RIT). Kirk Anne Rochester Institute of Technology RIT Research Computing Computer and Information Sciences 14 OSG Connect https://osg-htc.org/iid/khe0lt7x352p 11 322523477 RIT_Tu Study on Solid State Battery Cathode Optimization Howard Tu Rochester Institute of Technology Mechanical Engineering Mechanical Engineering https://osg-htc.org/iid/khe0lt7x352p 14.1901 604 RPI_Brown Event reconstruction in nanoscale layers for detection of neutrino decay Ethan Brown Rensselaer Polytechnic Institute Physics Elementary Particle Physics 14 OSG Connect https://osg-htc.org/iid/z9jynyyvt051 40.0804 164668602 RachelTestSubmit6Access Test project for the PATh team. Miron Livny University of Wisconsin–Madison Computer Sciences Computer Science https://osg-htc.org/iid/fq8thqsj99zh 11.0701b 466 Radlife study of the real-time monitoring of space and earth weather, cosmic ray radiation and cancer formation, cosmic ray muon tomography, etc... Xiaochun He Georgia State University Physics Physics 14 OSG Connect https://osg-htc.org/iid/ybl3snr9pbs1 40.08 465 ReABuncherRing Design of a pre-RFQ buncher ring for ReA at FRIB Phil Duxbury Michigan State University Physics and Astronomy Physics and astronomy 14 OSG Connect https://osg-htc.org/iid/wala2w0ka0gb 40.1101 163 RicePhenomics Analysis of salinity tolerance in rice. Harkamal Walia University of Nebraska\u2013Lincoln Agronomy Biological Sciences 14 OSG Connect https://osg-htc.org/iid/q9k1b8dfrw25 26 716 Rice_AjoFranklin Grid Analysis of Distributed Acoustic Sensing Datasets Jonathan Ajo-Franklin Rice University Earth, Environmental, and Planetary Sciences Earth and Ocean Sciences 14 OSG Connect https://osg-htc.org/iid/mqyva49x2em4 40 147392095 Rice_Foster Working on the interlay of correlated order and spatially rarified wave functions indued by spatial inhomogeneities in condensed matter systems. We have shown that the superconductivity can be enhanced in quasiperiodic twisted bilayer graphene with a preprint (https://doi.org/10.48550/arXiv.2406.06676). Currently we are focused on quasiperiodic twisted trilayers, where the physics is much richer and our results have a closer relation with experiments. Matthew Foster Rice University Physics and Astronomy Physics https://osg-htc.org/iid/mqyva49x2em4 40.0801 846 Rice_Fox Consumer behavior prediction analysis Jeremy Fox Rice University Economics Economics 14 OSG Connect https://osg-htc.org/iid/mqyva49x2em4 19.0402 1484988684 Rice_Li We do research on experimental nuclear and particle physics at the LHC. Our main purpose of using OSG is to perform phenomenological model simulations to compare with and understand the experimental data. https://lilab.rice.edu/ Wei Li Rice University Physics and Astronomy Department Physics https://osg-htc.org/iid/mqyva49x2em4 40.0804 1107004131 Rice_Mu Despite rapid advances in synthetic organic chemistry, many classes of small molecules remain inefficient to access using conventional methods. Enzymatic reactions, on the other hand, offer unparalleled potential for highly selective chemical transformations. By combining the power of modern enzyme engineering tools and advances in genome mining, The Renata laboratory aims to develop practical enzymatic solutions for traditionally challenging organic reactions, especially in the realm of C–H functionalization chemistry. The utility of these transformations will be showcased in the concise, scalable synthesis of bioactive natural products and their analogues, which in turn will serve as potential leads in drug discovery efforts or novel chemical probes to interrogate various cellular processes. Research projects are designed to be multi-faceted, providing students with broad exposure to synthetic organic chemistry, molecular biology, enzyme engineering and medicinal chemistry to ensure that they are well-equipped for future careers in both academia and industry. （https://renatalab.com/research/） Xinpeng Mu Rice University Department of Chemistry Chemistry https://osg-htc.org/iid/mqyva49x2em4 40.0504 1294804377 Rice_Mulligan This project attempts to find novel geometric symmetries in the folding of polygons. It has already produced several interesting solutions, and I have now refactored it to be generalizable and linearly scalable in an HTC workflow. A small version of it serves as an example for HTC parallelization in our workshops. https://github.com/JohnMulligan/parallel_folding_example/ John Connor Mulligan Rice University Center for Research Computing Mathematics and Statistics https://osg-htc.org/iid/mqyva49x2em4 24.0199 805 Rice_Ogilvie The ultimate goal is to train machine-learning-type models (e.g. GANs or CNNs) on DNA and RNA reads in order to classify both kinds of data into a common set of clusters. The application of this research is to improve our understanding of cancer development and progression by integrating single-cell genomic and transcriptomic data from the same patient. We plan on training these models on publicly available datasets that include both transcriptomic and genomic short reads, after first reducing those datasets to per-gene read counts. Huw Ogilvie Rice University Department of Computer Science Biological and Biomedical Sciences 14 OSG Connect https://osg-htc.org/iid/mqyva49x2em4 26 1240428427 Rochester_Askari Engineering the electro-mechanical properties of Twisted Bilayer Graphene with strained capping layers Hesam Askari University of Rochester Mechanical Engineering Mechanical Engineering 14 OSG Connect https://osg-htc.org/iid/v3s5cj6tgrvz 14.1901 1448327643 Rochester_Franchini The primary objective of this research project is to evaluate the efficacy and feasibility of an AI-powered pre-diagnostic tool for gastrointestinal diseases. Specifically, the project aims to assess the accuracy of the AI-powered technology in analyzing abdominal sounds and visual data recorded by the user's mobile phone. Anthony Franchini University of Rochester University of Rochester Medical Centre Biological and Biomedical Sciences https://osg-htc.org/iid/v3s5cj6tgrvz 26 372255360 Rochester_Liu I will be using the allocation to help researchers at the University of Rochester to understand how to use XSEDE resources and to test which XSEDE resources best fit their needs. Baowei Liu University of Rochester Dept. of Physics & Astronomy Training 14 OSG Connect https://osg-htc.org/iid/v3s5cj6tgrvz 30.3001 1673675712 Rochester_Mongelli This will allow for the determination of relative solubility of polymeric materials in alcohol solvents, similar to the shampoo and shaving cream materials. An understanding of the free energy of solvation and surface activity of polyethers and polysilicones will allow for the optimization of alcohol content in such mixtures to get the best bang for the buck in solubilizing and surface tension optimized alcohol-water mixtures with these polymers present. Guy Mongelli University of Rochester Chemical Engineering Chemical Engineering 14 OSG Connect https://osg-htc.org/iid/v3s5cj6tgrvz 14.07 688 Rowan_Nguyen Machine Learning and Error-Correcting Output Codes (ECOC) Hieu Nguyen Rowan University Mathematics Computer Sciences 14 OSG Connect https://osg-htc.org/iid/oya34s2ysser 11.0701a 697 Rowan_NguyenT PDE/ODE-based machine learning Thanh Nguyen Rowan University Mathematics Mathematics 14 OSG Connect https://osg-htc.org/iid/oya34s2ysser 27.01 790 Rowan_Rasool Machine learning algorithm robustness study Ghulam Rasool Rowan University Electrical and Computer Engineering Computer Sciences 14 OSG Connect https://osg-htc.org/iid/oya34s2ysser 11.0701a 285974151 RutgersOARC Rutgers Office of Advanced Research Computing Bala Desinghu Rutgers, The State University of New Jersey OARC Computer Science 14 OSG Connect https://osg-htc.org/iid/qrem5k97ikiv 11.07 74 SBGrid SBGrid work using OSG Connect Piotr Sliz Harvard Medical School Biological Chemistry and Molecular Pharmacology Biochemistry 14 OSG Connect https://osg-htc.org/iid/n1kbnzl7kyiv 26.0202 502 SBND Project entry corresponding to the SBND VO. Lisa Goodenough Fermilab N/A High Energy Physics 123 SBND https://osg-htc.org/iid/ik4s3ql8u1j7 40.0804 343784385 SBU_Jia https://www.stonybrook.edu/commcms/chemistry/faculty/_faculty-profiles/jia-jiangyong Simulation of relativistic heavy ion collisions of atomic nuclei, such as Gold, Lead, Xeon, Oxygen, proton etc using relativistic hydrodynamic code and transport simulation codes. Jiangyong Jia State University of New York at Stony Brook Physics Physics https://osg-htc.org/iid/qqd2s2b6m7eh 40.0804 618 SCEPCAL_Tully Segmented Crystal Electromagnetic Precision Calorimeter (for CEPC: Circular Electron Positron Collider and possibly other future collider experiments, e.g. the FCC) Christopher Tully Princeton University Physics Physics 14 OSG Connect https://osg-htc.org/iid/ao845i5pul3m 40.08 779 SC_Gothe Measuring cross section for double charged pion electroproduction off the proton with CLAS at JLab. Needing to simulate events passing through the detector based off previous measurements in order to more accurately determine the acceptance of the detector and thus correct measured raw yields. Ralf Gothe University of South Carolina Department of Physics and Astronomy Physics 14 OSG Connect https://osg-htc.org/iid/p58u55ae2ahu 40.0804 583 SDCC Project entry for the BNL Scientific Data & Computing Center John Steven De Stefano Jr. Brookhaven National Laboratory N/A Computer and Information Science and Engineering 114 BNL https://osg-htc.org/iid/g29k1hhqys0y 11 159 SDEalgorithms The goal of the project is to develop fast, accurate algorithms for simulation and inference of stochastic differential equations (SDE). Many SDE models of interest in science feature drift and diffusion coefficients with superlinear growth, which causes convergence and stability problems for many time integrators. We seek improved methods that can overcome these problems, with a focus on correctly computing moments and densities of the solution. Harish S. Bhat University of California, Merced Applied Mathematics Mathematical Sciences 14 OSG Connect https://osg-htc.org/iid/x5v4n3xgq7lu 27 622882552 SDSC-Staff San Diego Supercomputing Center staff, for system exploration and integration Frank Wuerthwein University of California, San Diego San Diego Supercomputing Center Computer Sciences 14 OSG Connect https://osg-htc.org/iid/06wup3aye2t7 11.0701a 600 SDSU_Edwards Bioinformatics Rob Edwards San Diego State University Viral Information Institute Bioinformatics 14 OSG Connect https://osg-htc.org/iid/lly8f2d4uk76 26.1103 813 SDSU_Huangfu Artificial intelligence and information sciences studies. Luwen (Vivian) Huangfu San Diego State University Department of Management Information Systems Computer and information services 14 OSG Connect https://osg-htc.org/iid/lly8f2d4uk76 11.01 1771702212 SDState_RCi This project will be used to train RCi staff in delivering OSG to researcher at SDSU. Chad Julius South Dakota State University Research Cyberinfrastructure Computer Science 14 OSG Connect https://osg-htc.org/iid/oqz71b6b44za 11.07 368 SFCphases Molecular-scale interaction between mobile and stationary phases as they relate to supercritical fluid chromatography (SFC) is modeled with hybrid Monte Carlo methods. Carbon dioxide is the main component of the mobile phase in SFC, which typically operates above the critical point. Simulations use seven mole percent methanol in the mobile phase. The objective of the proposed work is understanding the interaction between mobile-phase molecules and the alkylsilane-coated silica stationary phase. The computational method is Monte Carlo simulation. Hybrid molecular dynamics moves explore conformations of eighteen-carbon alkylsilane chains bonded to silica substrate. Paul Siders University of Minnesota Duluth Chemistry and Biochemistry Chemistry 14 OSG Connect https://osg-htc.org/iid/4h44weyae1r3 40.05 1662975253 SHU_IPHS3350_25Fall This course introduces statistical research methods in health science. This course provides students with the tools to collect and analyze data. Students will analyze peer-reviewed literature to improve critical thinking skills. Emphasis will be placed on concepts of data collection, data entry, data analysis and interpretation utilizing SPSS and Excel software programs. Samah Alshrief Seton Hall University Research Data Services Medical Sciences https://osg-htc.org/iid/tgf4v3ud3uyy 51.0000b 563 SINGE SINGE uses Granger Causality tests to infer gene regulatory networks from pseudotemporally ordered single-cell transcriptomic data. Anthony Gitter University of Wisconsin–Madison Biostatistics and Medical Informatics Bioinformatics 14 OSG Connect https://osg-htc.org/iid/fq8thqsj99zh 26.1103 421317448 SIUE_Quinones Research in Computer Vision, Digital Image Processing, and Multi-Agent Simulation. Rubi Quinones Southern Illinois University Edwardsville Computer Science Computer Science https://osg-htc.org/iid/s19zlu9q6u7l 11.07 668 SIUE_Staff Staff at Southern Illinois University who centrally support research computing David Chace Southern Illinois University Edwardsville Network and Systems Infrastructure Multi-Science Community 14 OSG Connect https://osg-htc.org/iid/s19zlu9q6u7l 30 1786599971 SJSU_IT Our goals are to explore and learn about the OSG computing environment so we can help and share the knowledge with SJSU researchers to enable them to utilize OSG HPC for their research projects. Atul Pala San Jose State University IT/HPC Computer and Information Services https://osg-htc.org/iid/0r71ijbk5mbz 11.0101 2028035864 SJSU_Zhang First-principles calculations of transition metal oxides for the application of low-power electronics Shenli Zhang San Jose State University Department of Chemical and Materials Engineering Materials Research https://osg-htc.org/iid/0r71ijbk5mbz 14.1801 542618163 SLAC_Nelson The Light Dark Matter eXperiment (LDMX) is a search for sub-GeV (lighter than the proton) thermal dark matter particles Timothy Nelson SLAC National Accelerator Laboratory Fundamental Physics Directorate, HPS Department Physics 14 OSG Connect https://osg-htc.org/iid/gsbt8law2xf0 40.08 1212557957 SLU_Ahn Studying multimodal ML applications in biomedical science. Tae-Hyuk Ahn Saint Louis University Computer Science Computer Science https://osg-htc.org/iid/p5mk8p3jv6wa 11.0701 514 SMOTNT Current model tracks the status of every single mRNA, ribosome, tRNA molecules during transcription and translation processes. The activities of these molecules are mainly governed by experimentally determined parameters such as their abundances and diffusion rates, as well as gene-specific rates for transcription, mRNA decay and translation. Tongji Xing Rutgers, The State University of New Jersey Genetics Department Bioinformatics 14 OSG Connect https://osg-htc.org/iid/qrem5k97ikiv 26.1103 513 SMRCNTP We are exploring the free energy landscape of stacking and columnar liquid assembly in condensed phases of monomer nucleic acids such as ATP and TTP using enhanced sampling methods. We are validating our methods by direct comparison with recent experimental studies of these materials. This work is of relevance to the prebiotic appearance of information carrying polymers such as DNA and RNA. Joseph Yelk University of Colorado Boulder Physics Biophysics 14 OSG Connect https://osg-htc.org/iid/gpeckuwpdnrs 26.02 3 SNOplus SNO+ is a multi-purpose liquid scintillator detector with a primary goal of studying neutrino-less double beta decay in Tellurium-130, and is also capable of measurements involving solar neutrinos, reactor antineutrinos and geoneutrinos, supernovae, certain nucleon decay modes. Data collected by the detector are moved to (UK and Canadian) grid storage, where automated processing occurs. The large number of simulated data sets required for statistical analyses are also produced on grid resources. The total combined size of the data and simulations is expected to be on the order of 100 TB, which makes transfer, storage, and processing (i.e. running custom ROOT code) intractable on local resources available at collaborating US institutions. Hence, access to grid storage and processing is imperative for the analysis of the SNO+ data by US Collaborators. Joshua R Klein University of Pennsylvania Physics and Astronomy High Energy Physics 30 OSG https://osg-htc.org/iid/nv2rjrft01gg 40.08 359 SO10GU searching for different realistic SO(10) GUT models that are able to reproduce the experimentally observed fermion masses and mixings shaikh saad Oklahoma State University Physics High Energy Physics 14 OSG Connect https://osg-htc.org/iid/ogvkim1urhzk 40.08 397 SOL The goal of this project is to implement Sol (a set of programs to compute solar insolation on complex landscapes and the energy available to drive weathering). Tyson Swetnam University of Arizona Geosciences Geographic Information Science 30 OSG https://osg-htc.org/iid/7rjyoz6kb8vq 45.0702 649 SOLID Jefferson Lab's SOLID experiment Thomas Britton Jefferson Lab Physics Nuclear Physics 99 JLab https://osg-htc.org/iid/hlz41oydapzn 40.0806 1702226924 SPRI_Smith use high throughput computing to perform thousands of variations in virtual surgical decisions to assess optimal plans for patients Colin Smith Steadman Philippon Research Institute Department of Biomedical Engineering Bioengineering & Biomedical Engineering 14 OSG Connect https://osg-htc.org/iid/2jg5lguuacnw 14.0501 417 SSGAforCSP This project will use the OSG to demonstrate the feasibility of using a new steady state genetic algorithm (SSGA), recently introduced by the MGAC collaboration, to predict the crystal structures of molecules of pharmaceutical interest. The OSG resources are ideal for this project because the SSGA requires a large number of independent energy calculations of candidate structures. These calculations for simple molecules will use the DFT approach, using software already available in the OSG. Julio Facelli University of Utah Biomedical Informatics Bioinformatics 14 OSG Connect https://osg-htc.org/iid/iwlonrroeaal 26.1103 1637586962 STAT605 Project for UW - Madison course in computational skills for statistics students. John Gillett University of Wisconsin–Madison Statistics Statistics https://osg-htc.org/iid/fq8thqsj99zh 27.0601 1286425467 SUNYGeneseo_CIT Campus support for users at SUNY Geneseo David Warden State University of New York College at Geneseo Computing & Information Technology Computer & Information Sciences https://osg-htc.org/iid/c50lqqtwgcys 11.0701b 1858194220 SUNYUpstateMed_Knutson We are interested in analyzing an RNA sequencing dataset from B-cells to study and understand class-switch recombination. We have downloaded FASTQ files from SRA and would like to proceed with alignment to the human genome. Bruce Knutson SUNY Upstate Medical University Biochemistry and Molecular Biology Biochemistry https://osg-htc.org/iid/e323lei9gdjp 26.0210 821428041 SUNYUpstateMed_Schmitt Studying the structure and phylogenetics of the ribonucleprotein complexes RNase MRP and P to apply to human and baker's yeast; Mining high-throughput and public datasets for information on the baker's yeast ribonucleoprotein complex RNase MRP' https://www.upstate.edu/biochem/research/fac_research.php?empID=schmittm Mark Schmitt SUNY Upstate Medical University Department of Biochemistry & Molecular Biology Biological and Biomedical Sciences 14 OSG Connect https://osg-htc.org/iid/e323lei9gdjp 26.021 138 SWC-OSG-IU15 Joint Software Carpentry/OSG Workshop at IUPUI, March 3rd-6th 2015. Robert William Gardner Jr IUPUI OSG Community Grid 14 OSG Connect https://osg-htc.org/iid/oe09ae0p2pmj 30.3001 129 SWC-OSG-UC14 Software Carpentry/OSG Workshop at University of Chicago. Date Dec 15-17 2014. Robert William Gardner Jr University of Chicago Computation Institute Computer and Information Science and Engineering 14 OSG Connect https://osg-htc.org/iid/o14joi278jrs 11 302 SWITCHHawaii We are using the SWITCH power system planning model to design power systems for Hawaii that have minimal expected cost across a wide range of future fossil fuel prices. Matthias Fripp University of Hawaii at Manoa Electrical Engineering Engineering 14 OSG Connect https://osg-htc.org/iid/34mcskejwysy 14 711 SWOSU_SOCCER Helping SWOSU students and faculty start running jobs on HTC resources in support of training and growing an HTC capable resource. Jeremy Evert Southwest Oklahoma State University Computer Science Computer and Information Sciences 14 OSG Connect https://osg-htc.org/iid/xpoj97mgs7iu 11 1824766561 SalemState_Poitevin Find segments of nucleotides in different genomes that can be parsed both visually and phonetically. Pedro Poitevin Salem State University Department of Mathematics Visual Arts 14 OSG Connect https://osg-htc.org/iid/zsklkeksa9qy 50 630 Sandia_LandModel Developing a "cheaper" surrogate land model. Vishagan Ratnaswamy Sandia National Laboratories Earth Science Earth and Ocean Sciences 14 OSG Connect https://osg-htc.org/iid/wznjjkdsruco 40 115 SbGenome The Sarcophaga bullata Genome Project seeks to assemble and annotate the genome of Sarcophaga bullata, an important model for cold tolerance and diapause. Dave Denlinger Ohio State University Department of Evolution, Ecology, and Organismal Biology Bioinformatics 14 OSG Connect https://osg-htc.org/iid/984ms2rzh7do 26.1103 189 SciSim The aim of this project is to create examples, demos and training materials to get UCF Faculty and Researchers get started for using OSG for HTC applications in the field of Scientific Simulations, Computation and Visualizations. Primarily, we expect to use NAMD, VMD, Matlab and R application software. Amit Goel University of Central Florida Advanced Research Computing Center Multi-Science Community 14 OSG Connect https://osg-htc.org/iid/ozb6tv0up0g3 30 489 SeaQuest Project entry corresponding to the SeaQuest VO. This is purely for job accounting purposes. David Christian SeaQuest N/A Nuclear Physics 9 Fermilab https://osg-htc.org/iid/ik4s3ql8u1j7 40.0806 1964875815 SeattleU_CPSC_5520_2025Sprin Teaching a distributed systems course. Assignments will be at-scale applications including a parallel video rendering pipeline, a genome analysis application, and a text analysis workflow Nate Kremer-Herman Seattle University Computer Science Computer and Information Science https://osg-htc.org/iid/nn54csg34gty 11.0701b 965071200 Seattle_Herman Teaching a distributed systems course. Assignments will be at-scale applications including a parallel video rendering pipeline, a genome analysis application, and a text analysis workflow. Nate Kremer-Herman Seattle University Computer Science Computer and Information Sciences https://osg-htc.org/iid/nn54csg34gty 11.0101 355423046 Seattle_Mendible Data science for social good Ariana Mendible Seattle University Department of Mathematics Statistics (SOCIAL SCIENCES) https://osg-htc.org/iid/nn54csg34gty 27.0599b 60947600 SetonHall_Bundy Dr. Bundy's research focuses on evolution experiments with artificial life. Jason Bundy Seton Hall University Biological Sciences Evolutionary Biology https://osg-htc.org/iid/tgf4v3ud3uyy 26.1303 504635856 SetonHall_RDS Group for the Research Data Services team in the Seton Hall Libraries. https://library.shu.edu/Data-Services/home Sharon Ince Seton Hall University University Libraries Research Computing https://osg-htc.org/iid/tgf4v3ud3uyy 30.7001 472 Shortrunjobs I'm working with researchers at FSU to show them how to use docker, singularity and OSG and I'd like to be able to submit an example job during some tutorials. I'll keep the runtime to just a few seconds so as to not use up resources. Donny Shrum Florida State University Research Computing Center Computer and Information Science and Engineering 14 OSG Connect https://osg-htc.org/iid/0yddmgnh2xl5 11 543 SimCenter Research Computing Facility providing HPC/HTC resources for local users Anthony Skjellum University of Tennessee at Chattanooga Computer Science Computer Science 14 OSG Connect https://osg-htc.org/iid/4e79d27c93p7 11.07 439 SimPrily This project is for anyone using SimPrily to perform demographic simulations. Ariella Gladstein University of Arizona Ecology and Evolutionary Biology Evolutionary Sciences 14 OSG Connect https://osg-htc.org/iid/7rjyoz6kb8vq 26.13 1759568953 SmallMolecule_Hoffman https://cancer.wisc.edu/research/resources/ddc/smsf/ Spencer Ericksen University of Wisconsin–Madison Small Molecule Screening Facility Health https://osg-htc.org/iid/fq8thqsj99zh 51.2006 7 Snowmass Simulate hundreds of millions of high-energy proton proton collisions, which mimic the collisions expected at future hadron colliders. This simulated data is used to assess the physics potential of future colliders, allowing US decision makers and funding agencies to prioritize future physics projects. Meenakshi Narain Brown University Physics High Energy Physics 30 OSG https://osg-htc.org/iid/0ytxfy0n4hol 40.08 298 SourceCoding Lossy compression is one of the classic problems in communication systems. The goal is to compress a given digital sequence so that it can be reconstructed up to a specific distortion (Shannon bound). David Mitchell New Mexico State University Electrical Engineering Engineering 14 OSG Connect https://osg-htc.org/iid/zoe98r1f2ztc 14.1099b 77 SoyKB The Soybean Knowledge Base (SoyKB), a comprehensive all-inclusive web resource for soybean. SoyKB is designed to handle the storage and integration of the gene, genomics, EST, microarray, transcriptomics, proteomics, metabolomics, pathway and phenotype data. Dong Xu University of Missouri Christopher S. Bond Life Sciences Center Plant Biology 30 OSG https://osg-htc.org/iid/dohu2f6ba08u 26.03 2114917477 SparseNeuro Using machine learning techniques that discover solutions with anatomically and temporally structured sparsity, we aim to test representational predictions from cognitive psychology using whole-brain neuroimaging datasets. Christopher Cox Louisiana State University Department of Psychology Behavioral Science https://osg-htc.org/iid/lk45ajqlj7f1 30.1701 419 SpatialModeling Developing software applications for probabilistic graph models, predominantly for spatially explicit modeling. Brook Milligan New Mexico State University Biology Bioinformatics 14 OSG Connect https://osg-htc.org/iid/zoe98r1f2ztc 26.1103 424 Specppxf Robust statistical inference of the kinematics from astrophysical spectra using Monte Carlo methods Alabi Adebusola University of California, Santa Cruz Department of Astronomy and Astrophysics Astrophysics 14 OSG Connect https://osg-htc.org/iid/n6cai04882ca 40.0202 1176451466 Spelman_Tekle My lab implements the basic principles of evolution to study the diversity, origin and relationships of medical and nonmedical microbes. Yonas Tekle Spelman College Biology Biological and Biomedical Sciences 14 OSG Connect https://osg-htc.org/iid/tls5zf8zntze 26 440 StSNE Find low dimensional representation of the high dimensional data Yichen Cheng Georgia State University Institute for Insight Statistics 14 OSG Connect https://osg-htc.org/iid/ybl3snr9pbs1 27.05 75 StanfordRCC This project is for simulation work in the Stanford research community. Ruth Marinshaw Stanford University RCC Community Grid 14 OSG Connect https://osg-htc.org/iid/keucrg5vtwtm 30.3001 756 Stanford_Das RNA tertiary structure of COVID-19 UTRs as therapeutic and vaccine targets: https://daslab.stanford.edu/news Rhiju Das Stanford University Biochemistry Biological and Biomedical Sciences 14 OSG Connect https://osg-htc.org/iid/keucrg5vtwtm 26 845 Stanford_Fletcher Optimizing water resource planning decisions through simulating effects of climate change projections on models of city water supply portfolios. Sarah Fletcher Stanford University Civil and Environmental Engineering Engineering 14 OSG Connect https://osg-htc.org/iid/keucrg5vtwtm 14 1205313563 Stanford_Gilula Gather statistics about the evolution and final conditions of various random initial configurations under certain symmetries in two-dimensional cellular automaton, mainly Conway's Game of Life Maxim Gilula Stanford University Mathematics Mathematics 14 OSG Connect https://osg-htc.org/iid/keucrg5vtwtm 27.0101 915821641 Stanford_Iaccarino Using numerical search to find new algorithms for solving differential equations. https://link.springer.com/article/10.1007/s11075-024-01783-2 Gianluca Iaccarino Stanford University ICME Mathematics https://osg-htc.org/iid/keucrg5vtwtm 27.0503 708 Stanford_Zia Dynamic simulation of colloidal glass transition Roseanna Zia Stanford University Chemical Engineering Engineering 14 OSG Connect https://osg-htc.org/iid/keucrg5vtwtm 14 1995239322 Swarthmore_Collins We use imaging of planarian behavioral responses to evaluate effects on neuronal function and neurodevelopment/regeneration. Our projects span from understanding the neuroethology of different behaviors to using planarians as a screening platform for different chemicals, to understand both neuroefficacy and toxicology. Eva-Maria Collins Swarthmore College Department of Biology Biological Sciences https://osg-htc.org/iid/a9u068qpwh85 26.1504 26 Swift Software development and systems testing for the parallel scripting language. Kyle Chard University of Chicago Computation Institute Computer Sciences 14 OSG Connect https://osg-htc.org/iid/o14joi278jrs 11.0701a 773 Syracuse_Brown Gravitational-wave astronomy and astrophysics. Duncan Brown Syracuse University Physics Astrophysics 14 OSG Connect https://osg-htc.org/iid/mzpz26kp0f3p 40.0202 2127461506 Syracuse_Carter This project is focused on automated re-processing of hydrographic survey data catalogued in the USACE eHydro database. Currently, the USACE employs deterministic TINs for creating bathymetric surfaces to inform dredging practices which is prone to producing artifacts. With improved geostatistical methods (kriging, radial basis functions, tension splines, etc.), the USACE can potentially improve dredge operation planning by having a more accurate model of bathymetry across the nation’s largest coastal waterways. eHydro as a reference: https://www.arcgis.com/apps/dashboards/4b8f2ba307684cf597617bf1b6d2f85d Elizabeth Carter Syracuse University Civil and Environmental Engineering Civil Engineering https://osg-htc.org/iid/mzpz26kp0f3p 14.0801 1629550967 Syracuse_ITSRC Research Computing staff from Syracuse University's Information Technology Services (ITS) Eric Sedore Syracuse University ITS Research Computing Integrative Activities 14 OSG Connect https://osg-htc.org/iid/mzpz26kp0f3p 30 248237660 Syracuse_Nitz Looking for sub-solar mass neutron stars. Alex Nitz Syracuse University Physics Astronomy and Astrophysics https://osg-htc.org/iid/mzpz26kp0f3p 40.0202 362 SysBioEdu A project for teaching analysis of large data sets for construction of models (i.e. graphs) of biological systems. Stephen Ficklin Washington State University Horticulture Biological and Critical Systems 14 OSG Connect https://osg-htc.org/iid/e0k6xtxoggq8 26.1308 1989474490 TAMUCT_Thron Large-scale agent-based simulations; stochastic optimization; training of neural networks Christopher Thron Texas A&M University-Central Texas Department of Science and Mathematics Mathematics and Statistics https://osg-htc.org/iid/o5wwhz0gsemj 27.0503 354415453 TAMUSA_Alsmadi Accelerating Research Computing at Texas A&M University-San Antonio (ARCATS) elevates research computing capacity by enhancing the capacity for campus cyberinfrastructure-enabled research. Izzat Alsmadi Texas A&M San Antonio Research Computing Computer and Information Services https://osg-htc.org/iid/m8y1vj9cez1o 11.1099 2028978826 TAMU_Mandal We study quantum dynamics in light-matter interacting systems. We develop novel numerical techniques to study single-body and many-body when the interaction with light can alter matter's microscopic and macroscopic properties of materials. Arkajit Mandal Texas A&M University Chemistry Chemistry https://osg-htc.org/iid/8wqbbz4i2cma 40.0501 791914894 TAMU_Rathinam Develop novel algorithms for path planning of multi-agent systems. Sivakumar Rathinam Texas A&M University Department of Mechanical Engineering Engineering 14 OSG Connect https://osg-htc.org/iid/8wqbbz4i2cma 14 120 TAMUpheno The Large Hadron Collider (LHC) experiments have successfully discovered the last missing piece of the standard model (SM)—the elusive Higgs boson. However, no sign of any physics beyond the SM has been observed yet. Although the standard model has been extremely effective, many unsolved questions still remain. The focus of our group is to study models of physics beyond the SM, which tries solve the aforementioned unsolved questions, and explore their possible signatures, at LHC experiments predominately. These models include Supersymmetric models, Grand Unified Theories, Left-Right Symmetric models and various Dark Matter models. LHC is going through an upgrade now and it will start functioning again next year with increased energy. We are pursuing a number of projects trying to predict the possible signature of new physics, pertaining to various models described above, in upcoming LHC experiments. Owing to these we need sufficient comuting power and intend to run collider simulators including MadGraph, Pythia, PGS, Delphes etc. Bhaskar Dutta Texas A&M University Department of Physics & Astronomy High Energy Physics 14 OSG Connect https://osg-htc.org/iid/8wqbbz4i2cma 40.08 393 TCGAPartCorr This is a project to characterize partial correlation relationships within and between data types in the data available from The Cancer Genome Atlas (TCGA). Chad Shaw Baylor College of Medicine Molecular and Human Genetics Bioinformatics 14 OSG Connect https://osg-htc.org/iid/gk0vqx4uormq 26.1103 2050048511 TCNJ_Science Group for School of Science computing support/facilitators at The College of New Jersey Sunita Kramer The College of New Jersey School of Science Research Computing 14 OSG Connect https://osg-htc.org/iid/q901ybs1a9nf 11 820768679 TC_Suk My research project aims to develop recommendation models for math course-taking plans in high school, where single-decision models target 9-th graders only and multiple decision models target 9-12 graders. Youmi Suk Teachers College Columbia University Department of Human Development Education https://osg-htc.org/iid/pahqw9jn55jh 13.0603 508281087 TDAI_Staff This project is for an XSEDE/Access Champions allocation, so there is no project that is planned for OSG presently. TDAI serves over 200 faculty affiliates that have interest in various aspects of Data Science, with researchers spanning disciplines from foundational methods, to applications in a variety of sciences, to data governance and policy. The intention of obtaining an OSG project is similar to other Champions accounts: to have resources readily available for researchers to test-drive against their workflow prior to obtaining their own allocations. https://tdai.osu.edu/research-action Tanya Berger-Wolf The Ohio State University Translational Data Analytics Institute Data Science 14 OSG Connect https://osg-htc.org/iid/984ms2rzh7do 30.7001 338 TDAstats Topological data analyses on various datasets David Meyer University of California, San Diego Mathematics Mathematical Sciences 14 OSG Connect https://osg-htc.org/iid/06wup3aye2t7 27 49 TG-ASC130043 The proposed project aims to decrease the management overhead and code complexity of trajectory analysis from particle simulation data. Particle simulations produce trajectories, which are encoded by a stream of high-dimensional vectors (frames). Analysis on this data usually takes a map-reduce form consisting of mapping each frame to successively smaller vectors of descriptors.From this starting point, two typical data analysis cases will be considered. The first is statistical, through construction of order statistics, histograms, cumulants, or weighted averages. We will develop code generation methods to handle general nonlinear analysis functions. The second analysis goes one step further by fitting the analyzed data to an assumed functional form using Bayesian inference.Due to the map-reduce structure of these computations, these analysis methods can be parallelized while retaining a high-level programming model. This task requires automated consideration of data movement and task separation to match available computational resources. The result will be published under an open source license, and be immediately useful to computational chemistry and biology applications analyzing large molecular dynamics simulations.This work will make use of the open science grid and Pegasus software as well as the TACC Longhorn data analysis cluster for systems and application comparison. Project code storage on XWFS and scratch access on TACC will also be needed. FutureGrid may be explored for compatibility with the Unicore workflow specification and Pegasus if its production status is extended past September. David Rogers University of South Florida Chemistry Computer and Information Science and Engineering 13 OSG-XSEDE https://osg-htc.org/iid/ztzfsirofyrb 11 2126152924 TG-ASC180023 Campus Champion Guided Discovery of XSEDE Resources for Region 7 at the Roux Institute at Northeastern University Scott Valcourt Northeastern University Roux Institute Applied Computer Science 14 OSG Connect https://osg-htc.org/iid/454t2lfhcfpp 30.3001 154 TG-AST140088 The IceCube Neutrino Observatory is responsible for providing the IceCube collaboration with Monte Carlo data including cosmic-ray shower simulations and simulation of the IceCube detector response. These simulations are used for studying the systematics of our detector and performance of future geometries. In addition, a large volume of background cosmic ray simulation is needed in order to optimize data analyses. A key component of simulating the IceCube detector is the correct modeling of the optical properties of the Antarctic ice which requires a lot of computation and has been adapted to run on GPUs. The IceProd framework is a software package developed for IceCube with the goal of managing productions across distributed systems and pooling together isolated computing resources that are scattered throughout the Collaboration. It consists of a central database hosted at University of Wisconsin-Madison and a set of daemons that are responsible for management of grid jobs as and data handling through the use of existing grid technology and network protocols. The IceCube Monte Carlo production is configured as a distributed workflow DAG that utilizes both CPU and GPU resources for various portions of the simulation chain. The intent is to utilize the Keeneland cluster in Georgia Tech to run GPU tasks and OSG for general CPU tasks through XSEDE. Intermediate files can be stored on a GridFTP server and are typically kept until the individual DAG completes. For a large production run, a typical storage requirement might be on the order of 5 TB. The IceCube collaboration would like to request an initial allocation of 100,000 SU’s. This allocation will be used to produce and reconstruct Monte Carlo simulations for the IC86 in-ice detectors as well as the IT81 surface detector. Francis Halzen University of Wisconsin–Madison Physics High Energy Physics 13 OSG-XSEDE https://osg-htc.org/iid/fq8thqsj99zh 40.08 152 TG-AST150012 We request a startup allocation to support development on two related projects. The main idea is to use three dimensional simulations to constrain the histories of observed galaxies. The majority of work (1) during the initial periods of this startup will be for Graduate Student S. Alireza Mortazavi to shift an existing Condor-based pipeline at the Space Telescope Science Institute (STScI) to the Open Science Grid in order to test and plan for an ambitious expansion of his research program to constrain the dynamical histories of galaxies (Mortazavi et al. 2015). PI Snyder will also begin to develop pipelines to exploit large-scale cosmological hydrodynamical simulations (2), which predict the evolution of entire populations of galaxies in representative model universes, requiring data-intensive computing. 1. Modeling the Initial Conditions of Interacting Galaxy Pairs Using Identikit We use the Identikit software (Barnes & Hibbard 2009, Barnes 2011; http://www.ifa.hawaii.edu/~barnes/research/identikit/ ) to model the dynamics of interacting galaxy pairs. By measuring the initial conditions of galaxy mergers, we can constrain both cosmology and galaxy astrophysics. A galactic encounter has several free parameters and it is time consuming to find the best match between model and data. However, Identikit combines multiple techniques to quickly explore parameter space to find the simulation most similar to the observed shape and constituent velocities. We have developed an automated pipeline based on the latest version of Identikit to scan parameter space and find robust matches and associated uncertainties (Mortazavi et al. 2015), implemented in an STScI-based Condor environment. We will continue to test our method against simulations of galaxy mergers to determine the systematic errors in our measurements. In addition, we will apply it to real data: We have observed a sample of ~30 interacting galaxy pairs using different telescopes. We have reached the limits of the HTCondor cluster at STScI, and therefore we seek to test the options available through XSEDE. We need around 50,000 SUs to compute matches and uncertainties of the measurements for each merging pair (observed or simulated), and so we are requesting a startup allocation of 150,000 SUs to perform tests while planning for a larger research allocation. This research will have direct applications for interpreting data from the Sloan Digital Sky Survey-IV survey "Mapping Nearby Galaxies at APO" (MaNGA). 2. Mock data applications from large hydrodynamical simulations PI Snyder will develop methods for converting large cosmological simulations of galaxy formation (e.g., the Illustris Project www.illustris-project.org) into direct predictions for astronomical observatories. With XSEDE resources, I will seek to expand our Mock Galaxy Observatory efforts in new and ambitious directions, such as creating synthetic survey fields and advanced spectroscopic data products. For instance, we will explore the possibility of using large cosmological simulations as benchmarks for the Identikit modeling described in project 1. For testing, we are requesting 50,000 SUs on Gordon, and Data Oasis storage of 5000GB, enough to store two Illustris Simulation (or similar) outputs plus post-processed data products. In future allocation requests, we may seek to make these model archives available to the community through an XSEDE Gateway. Gregory Snyder Space Telescope Science Institute Unknown Mathematical Sciences 13 OSG-XSEDE https://osg-htc.org/iid/uj5felct2t3z 27 165 TG-AST150033 The Kepler Mission has detected dozens of compact planetary systems with more than four transiting planets. This sample provides a collection of close-packed planetary systems with relatively little spread in the inclination angles of the inferred orbits. A large fraction of the observational sample contains limited multiplicity, begging the question whether there is a true diversity of multi-transiting systems, or if some systems merely possess high mutual inclinations, allowing them to appear as single-transiting systems in a transit-based survey. Planet formation is an active yet poorly understood field: insight to the histories and dynamics of multi-planet systems would be helpful towards understanding planet formation as a whole. In previous work, we have determined the regimes of parameter space for which orbital inclinations can be effectively excited by planet-planet interactions among the currently observed bodies. We found that the orbital inclination angles are not spread out appreciably through self-excitation. In contrast, we found that the two Kepler multi-planet systems with additional non-transiting planets are susceptible to oscillations of their inclination angles, which means their currently observed configurations could be due to planet-planet interactions alone. The multi-planet compact Kepler systems are found to be remarkably stable to oscillations of their inclination angles. The oscillations of inclination found in our previous work inform the recently suggested dichotomy in the sample of solar systems observed by Kepler. However, it would also be useful to study the behaviors of these systems with perturbing companions. This would enable a better understanding of the observed systems, resulting in a more accurate exoplanet population census. To do this, we must perform computationally intensive calculations and simulations. Juliette Becker University of Michigan Astronomy Astrophysics 13 OSG-XSEDE https://osg-htc.org/iid/4ocf9kvq30fn 40.0202 195 TG-AST150044 We are requesting 1,700,000 SUs on Open Science Grid to model the initial conditions of a sample of 15 major galaxy mergers in the local universe. These measurements will place unique constraints on the role of galaxy mergers in shaping galaxy evolution, and on cosmological assembly. Our sample consists of 15 interacting galaxy pairs with Hα kinematic maps, 2 of which have both Hα and HI 2D kinematic maps and 3 of which are drawn from the SDSSIV MaNGA survey. We will use the Identikit software package (Barnes & Hibbard 2009; Barnes 2011) and our automated pipeline to model the dynamics of interacting galaxy pairs and constrain their initial orbital parameters and merger stage. Jennifer Lotz Space Telescope Science Institute Astronomical Sciences Astrophysics 13 OSG-XSEDE https://osg-htc.org/iid/uj5felct2t3z 40.0202 313 TG-AST150046 We are using several large codes to search the photometric database from the Kepler satellite for stars that exhibit flares and starspots, to characterize the flare and starspot behavior and to extract information on starspot locations and properties using transiting planets as probes of stellar surface brightness variations. The XSEDE resources will enable this project to proceed much more quickly than with the resources at our home institutions. Suzanne Hawley University of Washington Astronomy Physics 13 OSG-XSEDE https://osg-htc.org/iid/8lpmoeouw66o 40.08 353 TG-AST160036 Starspots are dark regions on a star's surface that trace areas of strong magnetic fields. On the Sun, spots are typically small and occur in bands near the stellar equator. Sunspot occurrence frequency also peaks every 11 years due to the "solar cycle". For younger stars there are indications that spots are larger, and can form near the stellar poles, while evidence for spot activity cycles on other stars is sparse. These differences indicate that the shape and strength of the internal magnetic dynamo evolves throughout a stars life. However, because of their great distance we cannot directly observe the surface of other stars to map the locations and sizes of spots. We have developed new software to model the signature of starspots in Kepler data from transiting exoplanet systems. These star-planet systems are unique in having an orbiting planet that passes directly in front of its parent star. When the planet transits the star, it will briefly pass over spots on the star's surface, giving a very small change in the apparent brightness of the system. To trace the evolution of spot size and location with stellar age we must extend our analysis to many star systems with different transiting planet orientations. A startup allocation from XSEDE will allow us to test our software's ability to map spots from different system orientations, and using many years worth of Kepler data. James Davenport Western Washington University Physics Astrophysics 13 OSG-XSEDE https://osg-htc.org/iid/4wx5i3zndzma 40.0202 376 TG-AST160046 Our ultimate goal with this proposal is to understand how magnetic dynamos work on stars other than the Sun. To do the science we propose which is to measure the typical starspot lifetime as a function of rotation rate and stellar mass and derive the starspot number and the spatial starspot distribution for stars other than the Sun, we must apply our light curve model ing program to the full duration (4 years) of publicly available short cadence Kepler time series photometry of as many of our targets as possible. We must run the code many times per target in a Monte Carlo fashion in order to explore the full parameter s pace of potential solutions. We must also do trials with different numbers of starspots in order to determine the optimal number of spots necessary to fit the light curves. For this initial research allocation, we proposal to use the Open Science Grid to do a series of runs for 5 high priority targets: HAT-P-11, Kepler-17, Kepler-63, KOI-340, and KOI-1786, using our STSP code designed specifically for high throughput computing. The core code for the work has already been completed. Now, we need to run i t many times in many different configurations in order extract the scientific results. This mode of operating is well suited to training the young students and scientists that will do this work. Leslie Hebb Hobart and William Smith Colleges Physics Physics 13 OSG-XSEDE https://osg-htc.org/iid/pnmgrixofiq9 40.08 399 TG-AST170008 The outer solar system has been a topic of intense scientific research for twenty-five years, but particularly within the past year. In January 2016, astronomers Mike Brown and Konstantin Batygin announced ``Planet Nine'' -- a hypothetical 10 Earth-mass object in the distant solar system responsible for the statistically significant orbital clustering of the longest-period trans-Neptunian objects (TNOs). Since this announcement, several more long-period TNOs have been discovered. Our specific research focus is studying the orbital dynamics of these objects, both absent of and in the presence of a Planet Nine, with the ultimate goal of determining the mostly likely orbit of a potential Planet Nine. Such a study requires numerical N-body simulations of hundreds of ``clones'' of each object, where a clone is produced by varying the orbital elements of an object within uncertainties. These simulations must encompass the entirety of the solar system's history after the formation of the planets, or approximately 4.5 billion years. Additionally, we must conduct these simulations for a suite of potential Planet Nines, further increasing the computational demand. We intend to ascertain which simulations, and therefore which configurations of Planet Nine, allow for the dynamical survival and force the orbital alignment of the longest period TNOs. The computational demand for these simulations far exceeds what is available to us on a laptop or desktop computer, and therefore we are requesting a Startup allocation on OSG to complete this work. Stephanie Hamilton University of Michigan Physics Astrophysics 13 OSG-XSEDE https://osg-htc.org/iid/4ocf9kvq30fn 40.0202 573 TG-AST190031 The Resonance Hopping Effect in the Neptune-Planet Nine System Tali Khain University of Chicago Physics Planetary Astronomy 13 OSG-XSEDE https://osg-htc.org/iid/o14joi278jrs 40.0203 615 TG-AST190036 Exo-Cartography: Constraining Planet Formation through Mapping the Three-Dimensional Architectures of Planetary Systems Juliette Becker University of Michigan Astronomy Astronomical Sciences 13 OSG-XSEDE https://osg-htc.org/iid/4ocf9kvq30fn 40.0201 41 TG-ATM130009 The aim of this project is to create a global map that describes the functional distributions which characterize the spectraof precipitating auroral particles. Such a map would not only aid in efforts to model the ionosphere and the geospatial environment, but would also aid in the understanding of the magnetospheric source regions of these particles. The construction of this map will utilize programs that perform automated, nonlinear least squares fits of Maxwellian and Lorentzian distributions to data from the Defense Meteorological Satellite Program (DMSP) suite of spacecraft. These programs have been developed in C under the Fedora Coredistribution and are statically linked against the HDF4 and GNU Scientific libraries. Initial testing on an AMD Athlon II X4 645quad core processor has shown that the serial execution of four separate instances of the Maxwellian automated fitting program produces fits at an average rate of 1500 spectra per hour per core, while the Lorentzian program, when executed in the same fashion, will produce fits at an average rate of 500 spectra per hour per core. The 20-year catalog of data which we will use to populate this map contains roughly 200 million spectra. With these average rates, it would take our 16-core cluster approximately 8300 hours to fit Maxwellian distributions and 25,000 hours to fit Lorentzian distributions to the entire catalog. Given this amount of processing time and the serial nature of our programs, we wish to explore the feasability of using your HTC resources to complete this project. Phillip Anderson University of Texas at Dallas Physics Atmospheric Sciences 13 OSG-XSEDE https://osg-htc.org/iid/eouhp4r1y2e2 40.04 47 TG-ATM130015 The global distribution of precipitating auroral particles is a crucial input to models of the magnetosphere and the coupling between the magnetosphere-ionosphere. In particular, the spectral distributions which can be used to characterize the shape of precipitating electron spectra are equally important inputs to models and can be used provide information about the magnetospheric source regions of the precipitating particles. We detail the need for and the development of maps of characterized particle spectra and present a case for a resource request to aid with the development of these maps. Phillip Anderson University of Texas at Dallas Physics Atmospheric Sciences 13 OSG-XSEDE https://osg-htc.org/iid/eouhp4r1y2e2 40.04 44 TG-BCS110002 The George E. Brown Jr. Network for Earthquake Engineering Simulation (NEES) project is a National Science Foundation funded project operating a shared national network of civil engineering experimental facilities that seeks to develop effective ways of mitigating earthquake damage and loss of life using improved designs, materials, construction techniques, and monitoring methods. Safer buildings and civil infrastructure are needed to reduce damage and loss from earthquakes and tsunamis. Preparing for and protecting against these threats makes American communities more resilient to future disasters. To support research in the Civil Engineering community that seeks to address these problems, NEES operates 14 distributed research equipment sites across the United States. The objectives of NEES are to: develop a national and multi-user research infrastructure to enable research and innovation in earthquake and tsunami loss reduction; create an educated workforce in hazard mitigation; and conduct broader outreach and lifelong learning activities. Experimental capabilities at the 14 NEES sites include large-scale shake tables, a tsunami wave basin, large-scale testing facilities, centrifuges, field and mobile facilities, a large-scale displacement facility, and cyberinfrastructure capabilities. NEEScomm, led by Purdue University, connects the 14 NEES research equipment sites and the earthquake engineering community with a powerful information technology infrastructure and a commitment to education, outreach and training related to earthquake engineering. The center facilitates community collaboration and discovery by working to advance research based on experimentation and computational simulations of the performance of buildings, bridges, utility systems, coastal regions, and geomaterials during seismic events. In conjunction with supporting research, NEES seeks to disseminate results through education, outreach, and training to reduce the devastation and loss of human life from earthquakes and tsunamis. Through a cooperative agreement with the National Science Foundation, the NEEScomm center is charged with leading and managing the operations of this national resource, and enabling collaboration between the 14 NEES research equipment sites and the earthquake engineering community through groundbreaking cyberinfrastructure, education and outreach efforts. NEES provides access to a variety of analysis and simulation tools for the NEES community, which includes OpenSees, OpenFresco, UI-SimCor, RDV, and Data Turbine. A groundbreaking cyberinfrastructure, the NEEShub (http://www.nees.org), connects researchers, practitioners, and the greater civil engineering community with the 14 research labs. NEEShub features the NEES Project Warehouse, which archives data gathered in all NEES experiments, along with a rich set of tools for data management, data viewing, and computational simulation. Most projects include, in addition to physical experimentation, a substantial computational component for comparison with and validation of the physical tests. As part of the Information Technology services provided to the NEES community, NEEScomm is expected to provide production quality cyberinfrastructure that is reliable and relevant to the needs of the NEES community, and to provide facilitated access to and use of campus and/or national computing resources. This proposal seeks to continue and extend the support for computational experiments in the NEES research community. Thomas Purdue University Computer & Information Technology Biological and Critical Systems 13 OSG-XSEDE https://osg-htc.org/iid/oe09ae0p2pmj 26 554 TG-BIO180012 Automatic knowledge base construction and hypothesis generation antibiotic resistance mechanisms for Escherichia coli Ilias Tagkopoulos University of California, Davis Computer Science Biological Sciences 13 OSG-XSEDE https://osg-htc.org/iid/f62wuiqfjmxm 26 1202193772 TG-BIO200038 RNAMake Science Gateway: a public resource for the design and analysis of RNA 3D structure for custom nanomachines Joseph Yesselman University of Nebraska\u2013Lincoln Chemistry Biophysics 14 OSG Connect https://osg-htc.org/iid/q9k1b8dfrw25 26.02 834 TG-BIO210118 Prediction accuracy of R-loop formation along the human genome Gerald Quon University of California, Davis Molecular and Cellular Biology Genetics 13 OSG-XSEDE https://osg-htc.org/iid/f62wuiqfjmxm 26.0806 751070568 TG-BIO210164 The project aims to build a dataset of bioelectrical dynamics of a simulated cluster of somatic cells. Bioelectric patterns in tissue are now known to be a critical instructive influence over embryonic and regenerative morphogenesis, as well as over conversion to cancer. Michael Levin Tufts University Biology Cell Biology 14 OSG Connect https://osg-htc.org/iid/vtcuoa0mgv9x 26.04 276665351 TG-BIO250176 This project aims to identify naturally derived molecules with the potential to inhibit VP37, a key orthopoxvirus protein targeted by the antiviral drug Tecovirimat. Using GROMACS for molecular dynamics simulations and AutoDock Vina for molecular docking, we will screen candidates from the COCONUT natural product database. ACCESS resources will be used to support MD simulations, and molecular docking. Hagop Atamian Chapman University Biological Sciences, Schmid College of Science and Technology Biochemistry https://osg-htc.org/iid/wds3k660gq8j 26.0210 1714536582 TG-BIO250270 Despite rapid advances in synthetic organic chemistry, many classes of small molecules remain inefficient to access using conventional methods. Enzymatic reactions, on the other hand, offer unparalleled potential for highly selective chemical transformations. By combining the power of modern enzyme engineering tools and advances in genome mining, The Renata laboratory aims to develop practical enzymatic solutions for traditionally challenging organic reactions, especially in the realm of C–H functionalization chemistry. The utility of these transformations will be showcased in the concise, scalable synthesis of bioactive natural products and their analogues, which in turn will serve as potential leads in drug discovery efforts or novel chemical probes to interrogate various cellular processes. Research projects are designed to be multi-faceted, providing students with broad exposure to synthetic organic chemistry, molecular biology, enzyme engineering and medicinal chemistry to ensure that they are well-equipped for future careers in both academia and industry. （https://renatalab.com/research/） Xinpeng Mu Rice University Department of Chemistry Chemistry https://osg-htc.org/iid/mqyva49x2em4 40.0504 78 TG-CCR130001 I am applying for a renewal of campus champion allocations for Stanford. Ruth Marinshaw Stanford University Research Computing Training 13 OSG-XSEDE https://osg-htc.org/iid/keucrg5vtwtm 30.3001 169 TG-CCR140028 This allocation request is as the Rutgers Campus Champion to help serve the Rutgers Academic Community better. Shantenu Jha Rutgers, The State University of New Jersey Computer Engineering Computer and Information Science and Engineering 13 OSG-XSEDE https://osg-htc.org/iid/qrem5k97ikiv 11 69 TG-CDA080011 Allocation needed for Campus Champion Activities Vikram Gazula University of Kentucky Center for Computational Sciences Computer and Information Science and Engineering 13 OSG-XSEDE https://osg-htc.org/iid/532yhevnxlxc 11 97 TG-CDA100013 Campus Champion renewal to support the University of North Carolina at Chapel Hill. Mark Reed University of North Carolina at Chapel Hill ITS Research Computing Mathematical Sciences 13 OSG-XSEDE https://osg-htc.org/iid/nhz3r9d0308l 27 39 TG-CHE130091 Compressed carbon dioxide is the main component of the mobile phase in supercritical fluid chromatography, which separates solutes according to their interactions with solid stationary phases. Molecular-scale properties of carbon dioxide in the mobile phase, confined near a stationary phase, and interacting with solutes can be calculated by Monte Carlo molecular simulation methods. Atomistic potentials for carbon dioxide, for solutes, and for the co-solvent methanol must be tested and refined to reliably simulate interactions at the pressure-temperature conditions of supercritical fluid chromatography. Simulation code now under development is well-suited to high-throughput computing in that it is serial, portable, and requires little RAM and disk storage. Because runs are long the code will be made check-pointable so simulations can efficiently use the Open Science Grid. The startup allocation requested will be to continue development of the serial simulation code, to modify it to allow restarting from a checkpoint file, then to test and improve atomistic potentials for solute and solvent molecules. It is against bulk fluid phase equilibrium data that potentials will be refined. Should service units remain after development work, computing will shift to characterizing the solvent within a few molecular diameters of stationary-phase and solute molecules. Paul Siders University of Minnesota Duluth Chemistry and Biochemistry Chemistry 13 OSG-XSEDE https://osg-htc.org/iid/4h44weyae1r3 40.05 51 TG-CHE130103 Energy transport in disordered systems coupled to a thermal environment is a topic that is exceedingly important for a diverse set of technological applications including organic photovoltaic solar cells, conducting polymers and a host of others. Unfortunately, at present the dynamics in these systems is not well understood. The primary difficulty is that one must accurately simulate the dynamics of relatively large open quantum systems over lengthy timescales and across a broad range of parameters. Here we request XSEDE resources to focus on two specific questions on the energy transport process that will provide both key fundamental insights, as well as useful design principles to guide the construction of more efficient materials. First, we extend the results of our previous allocation to examine the energy transport in two dimensional thin films with realistic dipolar interactions. These systems are expected to undergo a metal-insulator (Anderson) transition as a function of both the orientation of the molecular dipoles and the strength of disorder. Simulations will be performed to elucidate this phase diagram. Secondly, the nature of the transport in the weak system-bath coupling regime will be explored, wherein the dynamics are largely governed by coherent, quantum effects. The scaling properties of the transport in this regime will be determined, providing insights into the interplay of Anderson localization with the dynamics of open quantum systems. Jeremy Moix Massachusetts Institute of Technology Chemistry Chemistry 13 OSG-XSEDE https://osg-htc.org/iid/jtlq7k0qkxtn 40.05 106 TG-CHE140094 Hybridization and denaturation transitions between DNA duplex and single stranded forms will be studied using Monte Carlo molecular simulation and a coarse-grained model. Short oligomers, between 10 and 25 bases in length, will be studied for one to two sequences, for cases where both strands are in solution as well as where one strand is bound to a surface as a model for a DNA microarray. The effects of temperature and of surface binding density will also be studied, and the results analyzed in terms of structural effects and hydrogen bonding patterns within the duplex. John Stubbs University of New England Chemistry and Physics Chemistry 13 OSG-XSEDE https://osg-htc.org/iid/0i20662pewxv 40.05 130 TG-CHE140098 The work proposed is Monte Carlo modeling of the interaction between mobile and sta- tionary phases as they relate to supercritical fluid chromatography (SFC). Proposed research continues that done with the startup allocation, which involved writing, testing, and porting Monte Carlo code to model intermolecular interactions and fluid phase equilibria in com- pressed carbon dioxide. Carbon dioxide is the main component of the mobile phase in SFC, which typically operates at temperatures and and pressures above the critical point. The objective of the proposed work is an understanding at the molecular level of the interac- tion between mobile-phase molecules and the alkylsilane-coated silica stationary phase. The computational method is Monte Carlo simulation, mainly in the constant-pressure Gibbs ensemble. Hybrid molecular dynamics moves will be used for alklylsilane chains. Proposed calculations will survey four alkylsilane coatings, eight pressures, three temperatures, and three mobile-phase compositions. Compositions will be pure carbon dioxide and carbon dioxide modified with 5% or 10% methanol. XSEDE resources requested are service units on the Open Science Grid, which suits the small portable nature of the Monte Carlo code. Weeks-long runs will be achieved by automatic resubmission of jobs. Paul Siders University of Minnesota Duluth Chemistry and Biochemistry Chemistry 13 OSG-XSEDE https://osg-htc.org/iid/4h44weyae1r3 40.05 128 TG-CHE140110 Monte Carlo molecular simulation together with a coarse-grained model is used to study the single-stranded to double-stranded transition in DNA both in solution and with one strand bound to a surface. Representing DNA microarrays, hybridization on a surface is studied and the effect of surface density, strand length and sequence homology on duplex stability is investigated. Results can better inform empirical surface hybridization models. John Stubbs University of New England Chemistry and Physics Chemistry 13 OSG-XSEDE https://osg-htc.org/iid/0i20662pewxv 40.05 330 TG-CHE150012 The overarching goal of the research to be performed using XSEDE resources is to characterize the thermodyanmic and dynamic driving forces for the behavior and properties of systems at the molecular level. This work will involve calculation of molecular free energies of transfer between different systems, molecular flow in nanoporous materials, determination and refinement of molecular interactions in different environments, and simulations of biomolecular systems. One key focus of this work will by on optimizing our use of co-processor hardware, the Intel Xeon Phi cards in particular, to facilitate our brand of scientific discovery. Christopher Fennell Oklahoma State University Chemistry Chemistry 13 OSG-XSEDE https://osg-htc.org/iid/ogvkim1urhzk 40.05 555 TG-CHE170021 Exact solutions of the Schrodinger equation for the helium atom Shengli Zou University of Central Florida Chemistry Physical Chemistry 13 OSG-XSEDE https://osg-htc.org/iid/ozb6tv0up0g3 40.0506 561 TG-CHE190012 Numerical demonstration of chiral molecule separation using circularly polarized light in an achiral environment under mild condition Shengli Zou University of Central Florida Chemistry Chemistry 13 OSG-XSEDE https://osg-htc.org/iid/ozb6tv0up0g3 40.05 673 TG-CHE190046 Spectroscopic signatures of enhanced coherent transport in chemically modified light-harvesting systems Jonathan Fetherolf University of Chicago Chemistry and James Franck Institute Chemistry 13 OSG-XSEDE https://osg-htc.org/iid/o14joi278jrs 40.05 701 TG-CHE200063 Unraveling Crystallization and Phase Transition Processes through Topology, Rare-event Simulation, and Machine Learning Jerome Delhommelle University of North Dakota Chemistry Chemistry 13 OSG-XSEDE https://osg-htc.org/iid/mxii12n9x22s 40.05 781 TG-CHE200122 Development of machine learning models for molecular simulations The development of fast, accurate, and universal empirical potentials (EP) has been at the forefront of computational chemistry for many decades due to the high cost and bad scaling of accurate quantum mechanical (QM) methods and the low accuracy of more efficient classical force fields. The central goal of our project is bridging the speed and accuracy gap between these two approaches with machine-learning (ML) potentials. ML potentials have proven their ability to predict energies and other properties of molecules when trained on properly developed data sets. While these potentials are fast and accurate, the majority do not aim to become universal in their description of chemical interactions. This limits their use to only specific molecular systems or bulk materials. Our group developed probably the first universal ML atomistic potentials ANI-1x and ANI-2x for organic molecules containing CHNOSFCl atoms. Apart from other similar efforts in quantum chemistry and materials science, this neural network potential was shown to be transferable across different chemical environments, generalizing to the density-functional theory (DFT) level of accuracy on a large set of organic molecules while being six orders of magnitude faster. One of the main challenges with developing highly accurate and transferable ML potential is the construction of training and test datasets. We developed a fully automated approach for the generation of datasets with the intent of training universal ML potentials based on active learning (AL) techniques. AL reduces the training set size by up to 90% data required compared to naive random sampling techniques. Even with the AL technique employed, the dataset size required to train accurate and transferable ML potential is in the range of millions of conformers of small molecules (up to about 20 non-hydrogen atoms). We ended up with a dataset size of 5M molecular conformations for CHNO elements (ANI-1x), and an additional 5M data points to parametrize potential for SFCl elements (ANI-2x). Our goal in this project is to utilize a High-Throughput Computing (HTC) model to run a very large number of relatively small quantum-chemical calculations in order to build new datasets set for a subsequent training of neural network models. All calculations are orchestrated as a Manager-Worker application that distributes a massive number of tasks to workers using the Python RQ library. We plan to use a single Access Point provided by the HTCondor Software Suite (HTCSS) and operated by the Open Science Grid to host the Manager of the application and to deploy the workers across the XSEDE facilities and the OSPool. Olexandr Isayev Carnegie-Mellon University Chemistry Chemical Sciences 13 OSG-XSEDE XRAC CHTC-XD-SUBMIT CHTC-ap40 SDSC-Expanse cwr109 Other CHTC-XD-SUBMIT CHTC-ap40 TACC-Frontera CHE20009 https://osg-htc.org/iid/3cqqrc2cgibl 40.05 1475351923 TG-CHE210056 Unraveling Crystallization and Phase Transition Processes through Topology, Rare-Event Simulations, and Machine Learning Jerome Delhommelle University of North Dakota Chemistry Physical Chemistry 14 OSG Connect https://osg-htc.org/iid/mxii12n9x22s 40.0506 859221248 TG-CHM210003 This will allow for the determination of relative solubility of polymeric materials in alcohol solvents, similar to the shampoo and shaving cream materials. An understanding of the free energy of solvation and surface activity of polyethers and polysilicones will allow for the optimization of alcohol content in such mixtures to get the best bang for the buck in solubilizing and surface tension optimized alcohol-water mixtures with these polymers present. Guy Mongelli University of Rochester Chemical Engineering Chemical Engineering 14 OSG Connect https://osg-htc.org/iid/v3s5cj6tgrvz 14.07 713548387 TG-CIE160039 Campus Champions at Carnegie Mellon University Franz Franchetti Carnegie-Mellon University ECE Engineering Systems 14 OSG Connect https://osg-htc.org/iid/3cqqrc2cgibl 14.2701 816055629 TG-CIE170004 This allocation enables Globus help desk and tech support personnel to troubleshoot issues and provide technical support for the Globus endpoints operated by ACCESS resource providers. Lee Liming University of Chicago Globus Staff Applied Computer Science 14 OSG Connect https://osg-htc.org/iid/o14joi278jrs 30.3001 644 TG-CIE170019 Real-Time Optimization of High Speed Data Transfers Engin Arslan University of Nevada, Reno Computer Science & Engineering Computer and Computation Research 13 OSG-XSEDE https://osg-htc.org/iid/xavkx489i6pu 11 521 TG-CIE170062 This course will provide an overview of techniques in cluster computing, High Throughput Computing and High Performance computing. Students will start from the very basics of constructing a small two node cluster from first principles. Using this small cluster, students will learn a variety of topics about cluster configuration and management, files systems and how they affect workflows, constructing workflows, running applications locally and how to scale applications to larger systems. Initially the students will do most of their work on their two node clusters. We will then scale the workflows and run them using the University of Colorado High Energy Physics cluster; an OSG opportunistic resource provider (UColorado_HEP) and finally I would like to give the students the experience if running on very large systems. I do not envision the students needing high priority nor consuming large amounts of resources. I am much more interested in being able to provide the experience of "what is possible". The class will consist of between 30 and 40 students. Funding for this class comes from the United States State Department through the Fulbright Scholar Program. Douglas Johnson University of Colorado Boulder Physics Computer and Information Science and Engineering 13 OSG-XSEDE https://osg-htc.org/iid/gpeckuwpdnrs 11 1829007221 TG-CIS210126 Statistical analysis on keys generated by a lattice based cryptography algorithm for post-quantum cryptography to determine patterns in the types of errors produced in the keys. Alexander Nelson University of Arkansas Computer Science & Computer Engineering Computer Science 14 OSG Connect https://osg-htc.org/iid/78b3lgmajszi 11.07 954766309 TG-CIS250262 ACCESS allocation for MST_Arifuzzaman. Elastic Data Transfer Optimizations Md Arifuzzaman Missouri University of Science and Technology Department of Computer Science Computer Science https://osg-htc.org/iid/a5fyyhl121i9 11.0101 556 TG-DBS170012 Europa Lander Orbital Tours James Howard Johns Hopkins University Applied Physics Lab Advanced Scientific Computing 13 OSG-XSEDE https://osg-htc.org/iid/hv6wemek62rw 11 774 TG-DDM160003 OSG SP - Allocation for Service Provider testing and integration Mats Rynge University of Southern California Information Sciences Institute Computer and Computation Research 13 OSG-XSEDE https://osg-htc.org/iid/6edduwj65dlr 11.0701b 70 TG-DEB140008 We propose to test community level population genetic patterns of coral reef fishes as they pertain to the Depth Refuge Hypothesis (DRH) of coral reefs by applying a statistical framework for multi-species analyses using hierarchical Approximate Bayesian Computation (hABC). The DRH specifies that deep reefs are protected from disturbances that effect shallow habitat and can provide a viable reproductive source for shallow reef areas following disturbance. It has been proposed that these foundation reefs may provide refuge not only from local disturbances such as storms or pollution, but can act as a refuge for geographically broad scale major disturbances such as the glaceoeustatic sea-level fluctuations that occur on the order of approximately 100k years at an amplitude of over 100m. During the Last Glacial Maximum (LGM) sea level was thought to have reduced shallow habitat by as much as 90% in the tropical Pacific possibly resulting in increased habitat fragmentation, local extinction, or bottlenecks. We will combine multi-taxa population genetic datasets into a single analysis to determine the proportion of the current community that historically expanded in a temporally clustered pulse, when the pulse occurred, and in what direction (i.e. from shallow water to shallow water across locations, deep water to adjacent shallow water, from shallow water to adjacent deep water, or deep water to deep water across locations.) across the Hawaiian archipelago. Robert Toonen University of Hawaii at Manoa Unknown Biological Sciences 13 OSG-XSEDE https://osg-htc.org/iid/34mcskejwysy 26 38 TG-DMR130036 We request high throughput computing resources to perform diagrammatic Monte Carlo calculations of strongly correlated non-equilibrium electron systems. The calculations employ existing implementations of real-time quantum Monte Carlo algorithms for the solution of quantum impurity models, which have been tested and benchmarked; they also involve extensions to these algorithms which are currently under development. We will use these codes to address two types of physics problems: strongly correlated lattice systems treated within the dynamical mean field approximation, and exact properties of model systems for mesoscopic and molecular electronic junctions. Emanuel Gull University of Michigan Physics Materials Science 13 OSG-XSEDE https://osg-htc.org/iid/4ocf9kvq30fn 40.1001 132 TG-DMR140072 When bulk helium-4 is cooled below T = 2.18 K, it undergoes a thermodynamic phase transition to a superfluid, characterized by zero viscosity and quantization of flow. The superfluid state of matter is a macroscopic manifestation of quantum mechanics, as it can be described by a single complex wave function with a phase that does not depend on position. The phase coherence can be probed in a container filled with helium-4, by reducing one or more of its dimensions until they are smaller than the coherence length; the spatial distance over which order propagates. As this dimensional reduction occurs, enhanced thermal and quantum fluctuations push the transition to the superfluid state to lower temperatures. However, this trend can be countered via the proximity effect, where a bulk 3D superfluid is coupled to a low (2D) dimensional superfluid via a weak link producing superfluid correlations in the film at temperatures above the Kosterlitz-Thouless temperature. Recent experiments probing the coupling between 3D and 2D superfluid helium-4 have uncovered an anomalously large proximity effect, leading to an enhanced superfluid density that cannot be explained using the correlation length alone.We intend to explore the microscopic origin of this enhanced proximity effect via large scale quantum Monte Carlo simulations of helium-4 in a topologically non-trivial geometry that incorporates the important aspects of the experiments. We will modify, test and deploy our research group's home-built high performance worm algorithm path integral quantum Monte Carlo code (http://code.delmaestro.org) at low temperatures with an eye toward improving efficiency through enhanced parallelization and hybridization. Adrian Del Maestro University of Vermont Physics Materials Science 13 OSG-XSEDE https://osg-htc.org/iid/mutx073mwd8x 40.1001 557 TG-DMR160157 Numerical Study of Disordered Periodically Driven Criticality William Berdanier University of California, Berkeley Physics Condensed Matter Physics 13 OSG-XSEDE https://osg-htc.org/iid/7rhak0ujmsoe 40.0808 558 TG-DMR180127 Campus Champion for Arizona State University Sirong Lu Arizona State University Research Computing Materials Research 13 OSG-XSEDE https://osg-htc.org/iid/er1rnzey26m9 14 572 TG-DMR190045 1D nanoconfined helium: A versatile platform for exploring Luttinger liquid physics Adrian Del Maestro University of Vermont Physics Condensed Matter Physics 13 OSG-XSEDE https://osg-htc.org/iid/mutx073mwd8x 40.0808 672 TG-DMR190101 1D Nanoconfined Helium: A Versatile Platform for Exploring Luttinger Liquid Physics Adrian Del Maestro University of Vermont Physics Condensed Matter Physics 13 OSG-XSEDE https://osg-htc.org/iid/mutx073mwd8x 40.0808 71 TG-DMS120024 This allocation will be used to help MSU users transition from local HPC resources to XEDE resrouces. Benjamin Ong Michigan State University Institute for Cyber Enabled Research Mathematical Sciences 13 OSG-XSEDE https://osg-htc.org/iid/wala2w0ka0gb 27 321 TG-DMS150022 This research project will focus on using high performance computing for accelerating the numerical methods for modeling the flows of viscoelastic liquids. The computational schemes developed for studying viscoelastic flows are based on an adaptive finite-volume discretization of the Navier-Stokes equations combined with various constitutive laws for viscoelastic liquids. The numerical method is based on a volume of fluid algorithm for tracking the interface, in case of the presence of a second phase. The numerical framework has parallel support using the MPI library, dynamic load-balancing, and parallel offline visualization. The parallel performance of the code will be tested and improved upon. Adaptivity combined with parallelization are essential components of the numerical framework, since transient computations of viscoelastic flows are often very intensive (due to small timestep and high mesh resolution required to resolve high stress regions) and therefore require a large computational resources. Shahriar Afkhami New Jersey Institute of Technology Mathematical Science Mathematical Sciences 13 OSG-XSEDE https://osg-htc.org/iid/zhy58gsknnaw 27 545 TG-DMS180031 Robust policy gradient improvement across multiple embodied morphologies Thomas Merkh University of California, Los Angeles Mathematics Applied Mathematics 13 OSG-XSEDE https://osg-htc.org/iid/4vhk41w4vvn6 27.03 674 TG-DMS190036 Modeling Random Directions and Simplex Transformations Rayleigh Lei University of Michigan Statistics Statistics and Probability 13 OSG-XSEDE https://osg-htc.org/iid/4ocf9kvq30fn 27.0502 311 TG-GEO150003 The goal of this project is to implement Sol (a set of programs to compute solar insolation on complex landscapes and the energy available to drive weathering). These programs current run on University of Arizona machines but we wish to test their portability to OpenTopography.org using SDSC resources. Jon Pelletier University of Arizona Geosciences Geographic Information Science 13 OSG-XSEDE https://osg-htc.org/iid/7rjyoz6kb8vq 45.0702 33 TG-IBN130001 The hope for magnetoencephalographic (MEG) measurements has been to produce functional brain mapping with high spatial (mm) and temporal (msec) resolution. Realizing this hope requires answers to these questions: (1) How many sources are active within the brain? (2) Where are they located. (3) What is their time course? MEG Virtual Recording (MVR) provides these while producing noninvasive measures of intracranial neuroelectric currents as if from 2,000,000+ directly implanted electrodes. It does so from single trial (unaveraged) data, has no free parameters, and provides very strong probabilistic measures to validate the existence of each identified source. We have demonstrated efficient implementation of MVR on the Open Sciences Grid. The measured computational load of 400 SU per second of MEG data makes supercomputing essential to practical implementation of MVR. We anticipate that MVR will enable identification of specific neurophysiological biomarkers of a variety of non-structural brain pathologies which have been refractory to date, e.g. concussion, post-traumatic stress disorder. Donald Krieger University of Pittsburgh Neurological Surgery Biological Sciences 13 OSG-XSEDE https://osg-htc.org/iid/2ayx10b74xua 26 1148957795 TG-INI200001 Startup Allocation for Cloud based workloads Timothy Middelkoop Internet2 Internet2 Research Computing https://osg-htc.org/iid/rdbgla0ef33b 11.0902 36 TG-IRI130016 Analysis of geospatial imagery has become a promising approach for characterizing Weapons of Mass Destruction (WMD) proliferation. The goal of this project is to design algorithms and computer executable that can extract man-made objects (e.g., building, road, gate, etc.) from high-resolution images (recording the boundary and location, and possible type). Joseph Cohen University of Massachusetts Boston Computer Science Information, Robotics, and Intelligent Systems 13 OSG-XSEDE https://osg-htc.org/iid/l6j63czttmv6 11 386 TG-IRI160006 Staff allocation to support the mission of the XSEDE Community Infrastructure (XCI) team comprised of the RACD and XCRI groups to facilitate interaction, sharing, compatibility, campus integration and SP Coordination of all relevant software and related services across the national CI community building on and improving on the foundational efforts of XSEDE. Victor Hazlewood National Institute for Computational Sciences None Information, Robotics, and Intelligent Systems 13 OSG-XSEDE https://osg-htc.org/iid/hp8930spi37u 11 1775745695 TG-IRI160007 The mission of the XSEDE Cyberinfrastructure Integration (XCI) team is to facilitate interaction, sharing and compatibility of all relevant software and related services across the national CI community building on and improving on the foundational efforts of XSEDE. We need access to XSEDE resources for periodic testing of new software releases. Richard Knepper Cornell University Center for Advanced Computing Applied Computer Science 14 OSG Connect https://osg-htc.org/iid/0lcrhlbjpu9r 30.3001 737 TG-MAT200005 Computer simulations of polymer grafted gold nanopores Elena Dormidontova University of Connecticut Institute of Materials Science Materials Engineering 13 OSG-XSEDE https://osg-htc.org/iid/eq81k8qpbcq9 14.1801 307 TG-MCB060061N This proposal is a request for supercomputer resources to carry out computations on five projects. The first project is to study the dynamics of a monoamine transporter in a novel single bilayer system. In this project we are investigating the resetting of the transporter through the movement of potassium ions. The second project is to calculate binding free energies for proposed antidepressant analogs that bind to serotonin. The third project is to investigate the aggregation properties of polyQ peptides. The fourth project is to study the electronic properties of diamond-like semiconductors using band structure methods. The fifth project is to apply quantum monte carlo methods to the study of water dimers and clusters. Jeffry D. Madura Duquesne University Chemistry & Biochemistry Molecular and Structural Biosciences 13 OSG-XSEDE https://osg-htc.org/iid/7t36l6cq2c14 26 40 TG-MCB090163 This proposal requests CPU time on XSEDE resources for research aimed at understanding assembly and pattern formation in biological and biomimetic systems. The first two subprojects will use coarse-grained simulations to explore two processes which are essential for replication of many viruses: the assembly of capsid proteins around RNA and the simultaneous assembly and budding of capsid proteins through lipid bilayers. The third subproject will study pattern formation and spontaneous flow in a far-from-equilibrium system containing microtubules and motor proteins studied by our experimental collaborators, the Dogic Lab at Brandeis. A common goal in each of the three subprojects is to reveal structural and dynamical information about key intermediates which are not accessible to experiments. The simulations of capsid assembly around RNA will be performed with the program HOOMD which enables great computational speedups on GPUs. The simulations of capsids assembling on lipid bilayers will use LAMMPS which affords excellent scaling for the large membranes being considered. The simulations of microtubules and motor proteins will use a self-written code optimized to characterize high aspect ratio, extensile bundles. Funding for Subprojects 1 & 2 is provided by NIH NIAID (R01AI080791) and Subproject 3 is funded by the NSF (NSF-MRSEC-0820492). Michael Hagan Brandeis University Physics Molecular and Structural Biosciences 13 OSG-XSEDE https://osg-htc.org/iid/z5fxzhzsjpb0 26 50 TG-MCB090174 We propose to use multiple XSEDE resources to study several scientific problems. This work is built on theextensive efforts over the past three years we have carried out within a wide range of computational science,cyberinfrastructure and computer science projects, requiring us to use concurrent multiple resources onXSEDE. Specifically, in this proposal we request 10.04M on Stampede, 2.07M on Kraken, 0.37M on Tres-tles and 0.1M on Blacklight for four distinct projects: (i) Atomisitic simulation of Physiological Systems;Extensible and Scalable middleware and tools for XSEDE and Open Science Grid.This proposal is fundamentally multi-disciplinary and collaborative. Importantly resources being re-quested are part of and supported by multiple federally funded and even International funded projects (inconjunction with NSF). This work is primarily funded by NSF CAREER Award (OCI-1253644; PI Jha), aswell as by NSF Cyber-enabled Discovery and Innovation Award (CHE-1125332; co-PI Jha), NSF-ExTENCIergy Award (ASCR, DE-FG02-12ER26115, PI Jha). A significant grant (ExTASY) as part of the US-UKNSF-EPSRC call in Chemsitry has been awarded at the UK end and is awaiting processing at the US end. Shantenu Jha Rutgers, The State University of New Jersey None Stated Molecular and Structural Biosciences 13 OSG-XSEDE https://osg-htc.org/iid/qrem5k97ikiv 26 37 TG-MCB100109 The purpose of this proposal is to renew our XRAC Allocation TG-MCB100109. During the past year, this allocation has provided us with sufficient resources to further optimize our weighted ensemble path sampling software for the efficient simulation of rare events and to apply the software to the simulation of association kinetics for a model protein-peptide system (the MDM2-p53 peptide complex). We now request a larger allocation to enable the application of the weighted ensemble approach to explicit solvent simulations of binding events for a model protein-protein complex (barnase-barstar complex) with rigorous calculation of association rates. This allocation will also enable the QM/MM simulations of a diffusion-controlled chemical reaction in solution (the addition of azide ion to a series of triphenylmethyl-derived cations) with the aid of the weighted ensemble approach. These applications will be important milestones two grand challenges in computational chemistry: 1) the simulation of protein binding events, and 2) the simulation of chemical reactions in solution. It would not be possible to make meaningful progress on these simulations without the requested allocation on the XSEDE resources. Lillian Chong University of Pittsburgh Chemistry Molecular and Structural Biosciences 13 OSG-XSEDE https://osg-htc.org/iid/2ayx10b74xua 26 46 TG-MCB130072 This allocation will be used to help MSU users transition from local HPC resources to XEDE resrouces Benjamin Ong Michigan State University Institute for Cyber Enabled Research Mathematical Sciences 13 OSG-XSEDE https://osg-htc.org/iid/wala2w0ka0gb 27 134 TG-MCB130135 Meta-genomics and Cancer research data Ashok Mudgapalli University of Nebraska Medical Center Research IT Office Mathematical Sciences 13 OSG-XSEDE https://osg-htc.org/iid/01g2a0xhkmrv 27 327 TG-MCB140088 The molecules of life are large, complex machines that drive the operations of the cell. Modeling the atomic structure and underlying dynamics of these molecules is critical for understanding disease and developing therapeutics. Recent advances in experimental instrumentation and scientific software have have made high resolution biological structures more accessible than ever, but large data volumes and complex calculation often require extensive computation. Cryo-electron microscopy (Cryo-EM), for example, can now reveal structures from heterogeneous biological samples to atomic resolution - better than 3 angstroms. These structures require terabytes of experimental data and upwards of 20,000 hours of compute time for accurate determinations to be made. X-ray crystallography, the workhorse of structural biology, can now combine complex computational modeling algorithms like Rosetta with experimental data to arrive at a complete structure determination, which may require more than 1000 hours of compute time. Drug discovery efforts have embraced computational “virtual screening’ to filter the most likely targets from vast drug fragment libraries by combining computational chemistry and experimentally-determined molecular structures. In these screens, the only limit to the number of drug candidates screened is computational time. Finally, molecular dynamics simulations give insight into the motions biological molecules adopt as they perform their jobs, but also require high-performance computing resources for meaningful results. As a Campus Champion at Harvard Medical School and SBGrid, I support the research computing needs of a diverse structural biology community and XSEDE is an essential resource in driving this critical research. Jason Key Harvard Medical School BCMP / SBGrid Molecular and Structural Biosciences 13 OSG-XSEDE https://osg-htc.org/iid/n1kbnzl7kyiv 26 84 TG-MCB140160 Description: RNA aptamers are small oligonucleotide molecules (~100 nucleotides) whose composition and resulting folded structure enable them to bind with high affinity and high selectivity to specific target ligands and therefore hold great promise as potential therapeutic drugs. The first aptamer to receive FDA approval was pegaptanib (Macugen), which is a treatment for wet age-related macular degeneration, a degenerative disease of the macula of the eye that leads to the loss of central vision. The pegaptanib aptamer acts by binding to and inhibiting the action of an isoform of vascular endothelial growth factor (VEGF), arresting degeneration. Functional aptamers are selected from a large, randomized initial library in a process known as SELEX (systematic evolution of ligands by exponential enrichment). This is an iterative process involving numerous rounds of binding, elution, and amplification against a specific target substrate. During each iteration - or round of selection - we enrich for the species with the highest binding affinity to the target. After multiple rounds, we ideally have an enriched aptamer library suitable for subsequent investigation. Modern techniques employ massively parallel sequencing, enabling the generation of large libraries (~10^{6} sequences) in a matter of hours for each round of selection. As RNA is single-stranded, the covariance model (CM) approach (Eddy, SR, Durbin, R (1994). RNA sequence analysis using covariance models. Nucleic Acids Res., 22, 11:2079-88) are ideal for representing motifs in their secondary structures, allowing us to discover patterns within functional aptamer populations following each round. CMs have been implemented in 'Infernal' (http://infernal.janelia.org) a program that infers RNA alignments based on RNA sequence and structure. Calibrating a single CM in Infernal however can take several hours and is a significant performance bottleneck for our work. However, as each CM calculation is itself independently determined and requires defined pr! ocessing and memory resources, their computation in parallel using the Open Science Grid offers a potential solution to this problem. Using part of a Campus Champion award to our institution, we have prototyped such a solution by making use of the Simple API for Grid Applications (SAGA) to interface with OSG and manage job submissions and file transfers. When run in parallel, our results showed a significant speed up, constrained by typical latencies and QoS associated with nominal OSG usage. This prior study demonstrated the feasibility of using SAGA and the OSG to support the parallelization of CM analysis of such large scale sequence based aptamer libraries, and forms the basis of this startup allocation request to further constrain workflow productivity and support the PhD research of Mr. Kevin Shieh. David Rhee Albert Einstein College of Medicine Genetics Molecular and Structural Biosciences 13 OSG-XSEDE https://osg-htc.org/iid/yzcm7hs9f1d0 26 137 TG-MCB140211 Why would a genotypically homogeneous population of cells live to different ages? We propose a mathematical model of cellular aging based on gene interaction network. This model network is made of only non-aging components, and interactions among genes are inherently stochastic. Death of a cell occurs in the model when an essential gene loses all of its interactions. The key characteristic of aging, the exponential increase of mortality rate over time, can arise from this model network with non-aging components. Hence, cellular aging is an emergent property of this model network. The model predicts that the rate of aging, defined by the Gompertz coefficient, is proportional to the number of active interactions per gene and that stochastic heterogeneity is an important factor in shaping the dynamics of the aging process. Hence, the Gompertz parameter is a proxy of network robustness. Preliminary studies on how aging is influenced by power-law configuration, synthetic lethal interaction, and allelic interactions will be presented. A general framework to study network aging as a quantitative trait will be studied, and the implication on missing heritability will be investigated. Empirical results to support these theoretic studies will also be presented. Preprint for the basic model is available at http://arxiv.org/abs/1305.5784 Hong Qin Spelman College Biology Molecular and Structural Biosciences 13 OSG-XSEDE https://osg-htc.org/iid/tls5zf8zntze 26 147 TG-MCB140232 A longstanding goal of molecular simulations is to accurately predict the three-dimensional fold of a biopolymer given only knowledge of its primary sequence. Although recent work has demonstrated the successful folding of proteins ranging from 10-80 amino acids from the unfolded state, no comparable results exist for the folding of structured RNAs. In recent work, we have shown that this is a result of underlying inaccuracies in the energy model itself, due to underlying assumptions that work well for describing amino acids but are inapplicable for describing nucleic acids in solution. We have systematically corrected these biases in order to more accurately capture the inherent flexibility of single-stranded RNA loops, accurate base stacking energetics, and purine anti-syn interconversions. In a departure from traditional quantum chemistry-centric parameterization schemes, we calibrate the molecular mechanics potentials directly against the relevant thermodynamic and kinetic measurements of aqueous nucleosides and nucleotides. This application is to continue the kinetic, thermodynamic characterization of improved RNA force-field to enable de-novo RNA folding. Alan Chen State University of New York at Albany Chemistry Molecular and Structural Biosciences 13 OSG-XSEDE https://osg-htc.org/iid/m9adt6gcsr8c 26 162 TG-MCB140268 The genome of many viruses is represented by a long single-stranded ribonucleic acid (RNA) molecule that appears to fold into a highly compact organized structure inside the viral shell. Such structure contains a variety of topological motifs, such as hairpins, bulges, multi-loops, and notably RNA pseudoknots. RNA pseudoknots play an important role also in natural RNAs for structural, regulatory and catalytic functions in various biological processes. In particular, it has been recently recognized an interesting interplay between the shape, structure and assembly of icosahedral viral capsids, and the compact RNA packaging topology. The topology of RNA pseudoknots can be effectively studied by using Random Matrix Theory (RMT), by exploiting a correspondence between a graphical representation of RNA structures with pseudoknots and Feynman diagrams of a particular field theory of large random matrices. The theoretical framework of RMT provides a natural analytic tool for the prediction and classification of pseudoknots, since all Feynman diagrams can be organized in a mathematical series, called topological expansion. The PI is interested in studying numerically some recent matrix models based on RMT to describe the structure of viral RNA encapsidated in a viral icosahedral shell. The PI has long experience in the application of RMT to the study of RNA pseudoknots with RMT, as well as on the simulation of the geometry and shapes of icosahedral shells. The simulations the PI intends to perform on XSEDE are Monte Carlo runs of large stochastic matrices, since the matrix model is naturally formulated as zero-dimensional SU(N) field theory of Hermitian matrices. The number of matrices L is equal to number of nucleotides of the RNA molecules, which in viral RNAs can be of the order of L~10^3. Past preliminary studies showed that the size N of the matrices should be sufficiently large to appreciate topological corrections of the order 1/N^2 and 1/N^4 (at least), which implies the simulation of Hermitian random matrices of order N~24 or N~32. Since the number of degrees of freedom for each matrix is N^2~1024, the configuration space has L*N^2~ 10^6 degrees of freedom. While matrix multiplication can benefit of parallel computing capabilities, the need of performing Monte Carlo simulations orients the PI to request High Throughput Computing resources for this initial XSEDE Startup application. Such initial experience will provide the PI a baseline to evaluate the possibility to steer future versions of the code towards HPC capabilities, including GPU or CPU-GPU clusters. Current local computational capabilities are sufficient for developing the codes and running toy-model simulations (N~4), but do not satisfy the PI’s needs for research purposes of large realistic systems. Therefore, XSEDE startup resources are requested to test larger systems, optimize the code and explore code’s scalability, as well as familiarize with the XSEDE platform. (1 row) Graziano Vernizzi Siena College Physics and Astronomy Molecular and Structural Biosciences 13 OSG-XSEDE https://osg-htc.org/iid/kd5q9wxz5757 26 546 TG-MCB150001 Large-Scale Modeling of Macromolecular Binding Equilibria Emilio Gallicchio CUNY Brooklyn College Chemistry Chemistry 13 OSG-XSEDE https://osg-htc.org/iid/lbg0jt5w2rks 40.05 241 TG-MCB150090 Solvation strongly affects the structures and properties of molecules. Molecular simulations for many problems in chemistry, physics, and biology require an accurate depiction of solvation, and the most ubiquitous and important solvent is water. Yet, water is difficult to model in molecular simulations - fast but sometimes erroneous modeling can be done with continuum solvent models, or relatively accurate but expensive modeling can be done explicitly. Users must generally compromise accuracy and efficiency for the problem of interest. Though widespread efforts are directed at testing water models, much of this work is duplicative and incomplete. Here we propose extensive computer simulations of biomolecular solvation using XSEDE. These simulations will provide a systematic database of solvation free energies for a large and diverse set of biomolecules and conformations. This database will extend our understanding of molecular solvation and will provide a communal resource for the development of continuum solvent models, a focus of many groups throughout the field. Emiliano Brini State University of New York at Stony Brook Laufer Center Molecular and Structural Biosciences 13 OSG-XSEDE https://osg-htc.org/iid/qqd2s2b6m7eh 26 540678325 TG-MCB160020 Hands on Training on Robust Molecular Simulations Introduces students to the exciting areas in Computational Biophysics, drug design, bioinformatics and potentially other computing intensive fields Rejwan Ali Icahn School of Medicine at Mount Sinai Neurology Biological and Biomedical Sciences 14 OSG Connect https://osg-htc.org/iid/uwam2e6xh8l2 26 337 TG-MCB160027 Knowledge of 3D protein structures is paramount towards our understanding of biochemistry. Currently, there are many more known protein sequences than 3D protein structures and experimentally determining their structure can be both expensive and time consuming. Therefore, extensive efforts have been made to model these structures using computational methods. Our group has developed the I-TASSER method, which constructs protein structure models by iteratively assembling structure fragments obtained by multiple threading algorithms. The method was stringently tested in the community-wide CASP experiments and has been widely used by the community, including more than 65,000 registered scientists from 122 countries. Despite its success, a major obstacle in the optimization of I-TASSER involves a dearth of computational resources available for use. We have access to a computing cluster composed of 1,100 cores. However, I-TASSER has seen a surge in users on our web server, and as a result, there have been over 2,000 jobs waiting or running at any one time, far exceeding our current capacity. Therefore, an increase in computational resources for our research interests would greatly benefit the further optimization of the I-TASSER method, as well as the biological and medical community as a whole. Over the course of this allocation, we expect to run approximately 400 I-TASSER jobs; each of these jobs would take 500 CPU hours, thus we would require roughly 200,000 CPU hours total. This will be of critical importance for the improvement of the I-TASSER methods and enhance its capacity to serve for the general biological community. Yang Zhang University of Michigan Department of Computational Medicine and Bioinformatics Molecular and Structural Biosciences 13 OSG-XSEDE https://osg-htc.org/iid/4ocf9kvq30fn 26 379 TG-MCB160069 Experiments have shown that co-translational phe nomena can strongly influence protein function. A mechanistic understanding of co-translational phenomena such as nascent chain tension and protein misfolding can be gained with molecu lar dynamics simulations using multi-scale models of ribosome-nascent chain complexes (RNCs). Using atomistic and coarse-grained models of RNCs, we will measure the magnitude of the mec hanical force generated by co-translational folding, determine the effects of folding domain size and stability on this force, and investigate how codon translation rates can alter the probability of folding and misfolding. Edward O'Brien Pennsylvania State University Chemistry Molecular and Structural Biosciences 13 OSG-XSEDE https://osg-htc.org/iid/f1tlj6c19ppg 26 387 TG-MCB160192 Proteins custom-designed for specific molecular function have great promise to advance many areas of science and industry. High throughput methods – in particular, effective computational modeling of structure and function – are necessary to identify proteins with novel functions out of the vast number of candidate protein sequences. Nevertheless, state-of-the-art methods have only limited accuracy in predicting the functional impact of even a few mutations. To improve models for functional proteins, we are developing methods within the Rosetta computational protein design software suite that represent subtle structural fluctuations using flexible-backbone ensembles and integrate multiple functional constraints on proteins (i.e. catalytic conformations or binding partners). Promising initial results demonstrated improvement over standard fixed-backbone approaches in initial tests against large curated mutational datasets for experimentally determined binding affinities and high-throughput screening of protein-protein interactions. Our approach of using discrete ensembles to model flexible and dynamic systems is well suited to the distributed nature of high performance computing clusters. Our goal of predicting the functional effect of defined sequences is likewise well suited. In particular, the Open Science Grid will be very useful for our high-processing, low-memory requirements. The purpose of this Startup request is two-fold: benchmarking and optimizing computational methodologies to model functional proteins. First, we will streamline our methodology for XSEDE in preparation for a Research allocation application. Second, additional computing resources from XSEDE will greatly expand our ability develop methodology beyond the limitations of benchmarking on the computational resources at our home institution. Samuel Thompson University of California, San Francisco Bioengineering and Therapeutics Molecular and Structural Biosciences 13 OSG-XSEDE https://osg-htc.org/iid/7nlvlasx7q46 26 547 TG-MCB170126 Demographic analysis using ARGweaver Melissa Hubisz Cornell University Biological Statistics and Computational Biology Genetics and Nucleic Acids 13 OSG-XSEDE https://osg-htc.org/iid/0lcrhlbjpu9r 26.08 548 TG-MCB190026 Global and Local Matching of Electron Microscopy Density Maps Daisuke Kihara Purdue University Biological Sciences/Computer Science Biophysics 13 OSG-XSEDE https://osg-htc.org/iid/oe09ae0p2pmj 26.02 512 TG-MCB190187 Eco-Evolutionary Feedback and Dynamics in the Long-Term E. coli Evolution Experiment Joao Ascensao University of California, Berkeley Bioengineering Genetics and Nucleic Acids 13 OSG-XSEDE https://osg-htc.org/iid/7rhak0ujmsoe 26.08 1778701075 TG-MCH210037 Engineering the electro-mechanical properties of Twisted Bilayer Graphene with strained capping layers Hesam Askari University of Rochester Mechanical Engineering Mechanical Engineering 14 OSG Connect https://osg-htc.org/iid/v3s5cj6tgrvz 14.1901 651772366 TG-MED220017 Tuberculosis (TB), caused by Mycobacterium tuberculosis (Mtb), is the main cause of death from infectious diseases, other than COVID-19, leading to 1.3 million deaths in 20203. The main pathological feature of TB disease is the formation of lung granulomas, dense collections of host immune cells, bacteria and dead cell debris. It is within these granulomas that the bacteria persist ad where the host immune system interacts with and responds to the bacterial infection4. Granulomas are highly complex structures that evolve over months to years within patients (Fig 1A). In vivo studies in humans, primates and mice have elucidated many of the key mechanisms involved in longer-term granuloma function. In vitro experiments can recreate certain aspects of granulomas in the lab, by combining host immune cells and bacteria in cell cultures5. These in vitro systems allow for closer investigation of the early dynamics of granuloma formation, which are difficult to capture and measure experimentally in vivo in lung tissue. The downside of the more complex in vitro systems with multiple cell types and design variables, is that they are difficult to analyze and optimize. Our computational models support and accelerate the analysis and design of such complex in vitro systems, in close collaboration with experimental groups. Elsje Pienaar Purdue University West Lafayette Biomedical Engineering Biological and Biomedical Sciences https://osg-htc.org/iid/y2m2tk3a8pp6 26.1201 35 TG-OCE130029 Methods that integrate population sampling from multiple taxa into a single analysis are a much needed addition to the comparative phylogeographic toolkit. Here we present a statistical framework for multi-species analysis based on hierarchical approximate Bayesian computation (hABC) for inferring community dynamics and concerted demographic response. Detecting community response to climate change is an important issue with regards to how species have and will react to past and future events. Furthermore, whether species responded individualistically or in concert is at the center of related questions about the abiotic and biotic determinants of community assembly. This method combines multi-taxon genetic datasets into a single analysis to determine the proportion of a contemporary community that historically expanded in a temporally clustered pulse as well as when the pulse occurred. We will apply this method to 59 species in the Hawaiian Archipelago in order to examine community response of coral reef taxa to sea-level change in Hawaii. The method can accommodate dataset heterogeneity such as variability in effective population size, mutation rates, and sample sizes across species and utilizes borrowing strength from the simultaneous analysis of multiple species. This hABC framework used in a multi-taxa demographic context can increase our understanding of the impact of historical climate change by determining what proportion of the community responded in concert or independently, and can be used with a wide variety of comparative phylogeographic datasets as biota-wide DNA barcoding data sets accumulate. Yvonne Chan University of Hawaii at Manoa Hawaii Institute of Marine Biology Ocean Sciences 13 OSG-XSEDE https://osg-htc.org/iid/34mcskejwysy 40.06 123 TG-OCE140013 Methods that integrate population sampling from multiple taxa into a single analysis are a much needed addition to the comparative phylogeographic toolkit. Here we present a statistical framework for multi-species analysis based on hierarchical approximate Bayesian computation (hABC) for inferring community dynamics and concerted demographic response. Detecting community response to climate change is an important issue with regards to how species have and will react to past and future events. Furthermore, whether species responded individualistically or in concert is at the center of related questions about the abiotic and biotic determinants of community assembly. This method combines multi-taxon genetic datasets into a single analysis to determine the proportion of a contemporary community that historically expanded in a temporally clustered pulse as well as when the pulse occurred. We will apply this method to 59 species in the Hawaiian Archipelago in order to examine community response of coral reef taxa to sea-level change in Hawaii. The method can accommodate dataset heterogeneity such as variability in effective population size, mutation rates, and sample sizes across species and utilizes borrowing strength from the simultaneous analysis of multiple species. This hABC framework used in a multi-taxa demographic context can increase our understanding of the impact of historical climate change by determining what proportion of the community responded in concert or independently, and can be used with a wide variety of comparative phylogeographic datasets as biota-wide DNA barcoding data sets accumulate. Yvonne Chan University of Hawaii at Manoa Hawaii Institute of Marine Biology Ocean Sciences 13 OSG-XSEDE https://osg-htc.org/iid/34mcskejwysy 40.06 43 TG-PHY110015 We propose to investigate signatures for the discovery of new physics at the LHC which would run at a center of mass energy of either 7 TeV, 8 TeV, 10 TeV or 14 TeV. Our goal is to first study the Standard Model background at these energies, and then develop analyses that strongly highlight and discriminate theories of new physics. We will use our actively developed software, FastSUSY, to carry out Bayesian analyses that estimate the parameters of the various models of new physics, in light of the most recent data. We also propose to study topological invariants of manifolds that are important in String Theory, searching for correlations to algebraic structures relevant to model building, and compute the properties of the vacua associated with these geometries. Additionally, we wish to extend our analyses to models of supergravity that including CP-violating phases. Our total request is for 7 million SUs and 5 TB of disk space for the proposed projects. Pran Nath Northeastern University Physics Physics and astronomy 13 OSG-XSEDE https://osg-htc.org/iid/454t2lfhcfpp 40.1101 34 TG-PHY120014 The discovery of a Higgs-like particle, announced in June 2012 by CERN, was a defining moment in the field of high energy physics. The excitement of this finding was felt world-wide and is a breakthrough in our understanding of the Universe at a fundamental level. Saying therefore that we now live in a post-Higgs era in high energy physics is no exaggeration. This breakthrough by the Large Hadron Collider (LHC) is just a first step towards testing much extensive theories such as supersymmetry and grand unification. Computing tools played an important role in the discovery of the Higgs and the need for these tools to explore ideas beyond the Standard Model is ever increasing. Resources like XSEDE therefore provide an opportunity to use cutting edge computing tools in order to explore novel ideas in high energy physics. Our startup allocation of 150,000 SU's resulted in four peer reviewed publications. With the second allocation of 3 million SUs our group managed to complete 10 articles out of which 7 have been published in peer reviewed journals and three are in process. The data for two other projects have been collected. These projects resulted from the consumption of only 32% of the total SUs that were allocated. Our consumption of the SUs was much less than anticipated since we have improved the computing techniques we use in our projects. We are therefore requesting an extension of our current SUs since a surplus of SUs is always useful for us to pursue projects even if the SU requirement is high. Qaisar Shafi University of Delaware Physics and astronomy Physics and astronomy 13 OSG-XSEDE https://osg-htc.org/iid/j2iu11x3iayo 40.1101 549 TG-PHY130048 Campus Champion Renewal Dodi Heryadi University of Notre Dame Advanced Scientific Computing 13 OSG-XSEDE https://osg-htc.org/iid/mavkovkq2s0l 11 750 TG-PHY140048 Campus Champion Allocation -- APSU Justin Oelgoetz Austin Peay State University Physics, Engineering & Astronomy Science and Engineering Education 13 OSG-XSEDE https://osg-htc.org/iid/epwuin5ootnr 13 310 TG-PHY150040 IceCube is a neutrino detector built at the South Pole by instrumenting about a cubic kilometer of ice with 5160 light sensors. IceCube is taking data since 2006, and it is envisioned to continuing doing so for the next 20 years. One of the primary goals for IceCube is to elucidate the mechanisms for production of high-energy cosmic rays by detecting high-energy neutrinos from astrophysical sources. The excellent performance of IceCube plus the advances in understanding fundamental detector characteristics such as the ice properties have allowed to expand its scientific reach towards measurements and searches that require much higher precision and control of systematic error sources. Examples of these are the measurement of neutrino oscillations in a previously unexplored energy range from 10 to 60 GeV. The simulations proposed in this request will enable carrying out neutrino physics precision analysis which require of a very good understanding of possible sources of systematic errors. Examples of these are Tau neutrino appearance and Muon neutrino disappearance precision measurements as well as searches for low energy sterile neutrinos. Francis Halzen University of Wisconsin–Madison Physics Physics and astronomy 13 OSG-XSEDE https://osg-htc.org/iid/fq8thqsj99zh 40.1101 314 TG-PHY160001 XSEDE resources will be used to generate several trillion simulated collision events for the CERN Large Hadron Collider Experiment. The simulated events will be generated by the Monte Carlo simulation program called Herwig 7 (herwig.hepforge.org) interfaced with the module HJets++ (hjets.hepforge.org). The primary focus will the simulation of the scattering of two protons into a Higgs boson is association with jets (H+3 Jets). Jets are are clusters of energetic hadrons. Hadrons are composite particles that are comprised of fundamental particles called quarks and gluons. Results for the next-to-next leading order QCD corrections of H+3 Jets have been published in Physical Review Letters (http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.111.211802). However, further simulations are required to evaluate the theoretical uncertainties for the integrated scattering cross-section and kinematics distributions for H+3 Jets. In order to evaluate the scattering cross-section with a Monte Carlo integration error of 1 per mille, it is necessary to simulate at least a trillion weighted events. The parallel computing computing environment that XSEDE provides will provide the necessary events to achieve lower integration errors. Terrance Figy Wichita State University Mathematica, Statistics, and Physics Physics 13 OSG-XSEDE https://osg-htc.org/iid/p3nn2sljiwwl 40.08 351 TG-PHY160031 We request computing time on Stampede to perform air shower simulations for the VERITAS air Cherenkov gamma-ray telescope. The new set replaces an existing 5 year old set of shower simulations. Air shower simulations are essential to understand the instrument response of VERITAS and needed in the analysis of VERITAS data. The proposed new set of simulations will allow the VERITAS Collaboration to extend the usable energy range of the VERITAS instrument beyond 10 TeV and significantly reduce systematic uncertainties at all energies. Nepomuk Otte Georgia Institute of Technology School of Physics & Center for Relativistic Astrophysics Mathematical Sciences 13 OSG-XSEDE https://osg-htc.org/iid/uvf22j6xjbtv 27 519 TG-PHY180007 The Jet Energy-loss Tomography with a Statistically and Computationally Advanced Program Envelope (JETSCAPE) collaboration is an NSF funded SSI-collaboration of 6 institutions.The JETSCAPE Collaboration is tasked with the design and construction of a software framework that can be used to simulate collisions of large nuclei at extreme energies, to populate the framework with interacting modules that simulate different aspects of the collision, and use Bayesian techniques to make statistical comparisons between the results of this event generator and experimental data. Nuclear collision experiments at Brookhaven National Lab. and at CERN produce a state of matter called the Quark Gluon Plasma (QGP), which exists only above 2 trillion degrees. The QGP lives for about 10 septillionths of a second, before cooling down and explosively evaporating to a spray of conventional matter. The separate modules of the JETSCAPE event generator will simulate the initial state of the colliding nuclei, the pre-equilibrium dynamics, the viscous fluid dynamical expansion where the QGP cools down to an interacting state of conventional matter, and the final evaporation of the droplet into a spray of conventional particles. The framework and developed event generator places special emphasis on the simulation of extremely high energy jets that are produced in rarer events, traverse the dense QGP and are modified on exit. The study of this modification in comparison with jets in vacuum yields clues to the internal structure of the QGP. Before such simulations can be carried out, the different interacting modules of the event generator have to be tuned (unknown parameters set) by comparison with a small subset of available experimental data. We are requesting allocation time on the OSG to start the tuning of a scaled down version of the full event generator. The startup allocation will allow us to estimate both the time required for the tuning and simulations of the default event generator. Abhijit Majumder Wayne State University Physics And Astronomy Nuclear Physics 13 OSG-XSEDE https://osg-htc.org/iid/d54pf46v5aqz 40.0806 550 TG-PHY180035 Calibrating JETSCAPE 1.0 Understanding jets in a Quark Gluon Plasma Abhijit Majumder Wayne State University Physics and Astronomy Nuclear Physics 13 OSG-XSEDE https://osg-htc.org/iid/d54pf46v5aqz 40.0806 751 TG-PHY200004 Toward massively-parallel plasma simulation for low-temperature plasmas Kentaro Hara Stanford University Aerospace Engineering Physics 13 OSG-XSEDE https://osg-htc.org/iid/keucrg5vtwtm 40.08 1918053794 TG-PHY210083 Study the nonlinear elastic behavior of nanomaterials using a polynomial based constitutive equation to model the behavior of the materials. Senthil S. Vel University of Maine Mechanical Engineering Materials Science 14 OSG Connect https://osg-htc.org/iid/jxj9y1j53ii6 40.1001 893636859 TG-PHY210092 Finite-size corrections in spin glasses and combinatorial optimization Stefan Boettcher Emory University Department of Physics Condensed Matter Physics 13 OSG-XSEDE https://osg-htc.org/iid/yaw5atxcrn55 40.0808 662839851 TG-PHY210094 Magnetic and toopological properties of line defects in multiband superconductors. use Bogoliubov-de Gennes equations Peter Hirschfeld University of Florida Physics dept. Physics 14 OSG Connect https://osg-htc.org/iid/84k5udeuw65m 40.08 200044350 TG-PHY220009 Conduct particle resolved simulations of prolate spheroids in viscoelastic and EVP fluids using an in-house finite difference solver. Donald L Koch Cornell University Department of Chemical and Biomolecular Engineering Chemical Engineering 14 OSG Connect https://osg-htc.org/iid/0lcrhlbjpu9r 14.07 1914541499 TG-PHY220016 Benchmarking of 2D Isometric Tensor Network Algorithms. Tensor networks states (TNS) are an essential tool in condensed matter physics for simulating quantum systems on standard, classical computers. In one-dimension, Matrix Product State (MPS) methods are provably accurate at representing a large class of physical states, and efficient algorithms have been developed for finding lowest energy, excited , and time-evolved states. In higher dimensions, however, exactly calculating properties of TNS are provably NP-hard, so approximations must be made. A recent development in two-dimensions (2D) is the isometric tensor network (isoTNS), which places restrictions on the network so that calculations become efficient [1]. We have recently developed algorithms for simulations of 2D networks with a finite by infinite geometry (think of an infinitely long ribbon). It is necessary to now benchmark these methods against existing 1D algorithms applied to 2D systems and determine the system sizes at which these methods outperform their 1D counterparts. The simulation code is written in Python and typically is for a single core. [1] Zaletel, Pollmann; Isometric Tensor Network States in Two Dimensions; Phys. Rev. Lett. 124, 037201 (2020) Sajant Anand University of California, Berkeley Physics Physics 13 OSG-XSEDE https://osg-htc.org/iid/7rhak0ujmsoe 40.08 105 TG-SEE140006 Description: This proposal requests 20,000 SUs on XSEDE for 20 undergraduate students and mentors participating in the Computational Astronomy & Physics REU Program at the University of North Carolina-Chapel Hill in summer 2014. The time is needed for a computational methods tutorial on the Open Science Grid followed by optional use of the OSG for the students summer research projects, with possible continuing use through January 2014 to enable polishing the projects for presentation at conferences. The projects cover a range of topics in computational astronomy and physics. Details can be found in the supporting material attached. Sheila Kannappan University of North Carolina at Chapel Hill Physics & Astronomy Physics and astronomy 13 OSG-XSEDE https://osg-htc.org/iid/nhz3r9d0308l 40.1101 146 TG-SES090019 Geographic Information Science (GIScience), crosscutting many fields (e.g., geography, social sciences, computer science, geodesy, and information sciences), plays essential roles for transforming geographic data into geospatial information and knowledge, breaking through scientific problems, and improving decision-making practices of broad and significant societal impact. However, fulfilling such roles is increasingly dependent on the ability to handle very large spatial datasets and complex analysis and modeling methods based on synthesizing computational and spatial thinking enabled by cyberinfrastructure (CI), which conventional GIS software approaches do not provide. CI-based integration of geographic information systems (GIS) and spatial analysis and modeling, as a holistic solution, is leading to unprecedented capabilities for transforming geospatial sciences.The purpose of this project is to extend and sustain GISolve, a TeraGrid Science Gateway toolkit for GIScience, for establishing a high performance, distributed, and collaborative CyberGIS framework that couples CI, GIS, and geospatial analysis and modeling capabilities. Through the continuous TeraGrid resource allocation support from previous three years, a set of spatial middleware components has been built into the GISolve Toolkit to glue generic cyberinfrastructure capabilities and geospatial analysis methods. This toolkit has been used to build the TeraGrid GIScience Gateway as a collaborative geospatial problem-solving environment for multi-disciplinary researchers to perform large-scale geospatial analysis and modeling, and help non-technical users directly benefit from accessing TeraGrid capabilities. With the support of TeraGrid high-end computing resources, we have developed a set of high-performance parallel and distributed geospatial computational methods for our research projects. Scalability and efficient use of high-end computing resources are the foci in developing these methods. For example, the parallel agent-based modeling and parallel land use optimization code are scalable to thousands of processors on Abe and Ranger with impressive computational performance. The methods so developed have been applied in solving large- and multi-scale geospatial science problems that could not be solved before, such as the study of geospatial pattern of the impact of global climate change on crop yields. With GISolve being widely used in the GIScience community, new methods continue to be identified, proposed, and integrated in the GISolve Toolkit. To support community-contributed applications, we have developed a streamlined application integration process to facilitate cyberinfrastructure-enabled computation and efficient integration into the science gateway for sharing. This project has been growing dramatically with consistent and extended research collaboration and education efforts such as the collaboration with the U.S. Geological Survey (USGS) in the National Map project and outreach activities with the University Consortium for Geographic Information Science (UCGIS). Shaowen Wang University of Illinois Urbana-Champaign Geography and Geographic Information Science Geographic Information Science 13 OSG-XSEDE https://osg-htc.org/iid/10izzs5e7v1r 45.0702 113 TG-STA110011S renewing project Stephen McNally University of Tennessee, Knoxville NICS Computer Science 13 OSG-XSEDE https://osg-htc.org/iid/hp8930spi37u 30.3001 48 TG-STA110014S Staff Account for Training Nancy Wilkins-Diehr University of California, San Diego San Diego Supercomputer Center Training 13 OSG-XSEDE https://osg-htc.org/iid/06wup3aye2t7 30.3001 1739496113 TG-TRA090005 Campus Champion Allocation for University of Michigan Michelle Johnson University of Michigan Advanced Research Computing - Technology Services Training 14 OSG Connect https://osg-htc.org/iid/4ocf9kvq30fn 30.3001 45 TG-TRA100004 Swarthmore College Campus Champion Renewal Andrew Ruether Swarthmore College ITS Training 13 OSG-XSEDE https://osg-htc.org/iid/a9u068qpwh85 30.3001 111 TG-TRA110013 Description: Campus Champions for Case Western Reserve University, helping faculty to start onboarding XSEDE resources. Some research work on Macromolecular Science and Materials Science. Hadrian Djohari Case Western Reserve University ITS Chemistry 13 OSG-XSEDE https://osg-htc.org/iid/7kqlt19a4h39 40.05 392 TG-TRA120004 This allocation will be used to help researchers at Columbia University understand how to use XSEDE resources. Rob Lane Columbia University Columbia University Information Techonology Computer Science 13 OSG-XSEDE https://osg-htc.org/iid/avy4x5r4jsrw 30.3001 1033099510 TG-TRA120012 UCLA Campus champion allocation Tajendra Vir Singh University of California, Los Angeles OARK Computer Science 14 OSG Connect https://osg-htc.org/iid/4vhk41w4vvn6 11.07 72 TG-TRA120014 This is the allocation for my Montana State University Campus Champion account. Pol Llovet Montana State University Research Computing Group Evolutionary Sciences 13 OSG-XSEDE https://osg-htc.org/iid/0budavib8vhh 26.13 645 TG-TRA120031 Campus Champions Renewal John Burkman Louisiana School for Math, Science, and the Arts Mathematics Advanced Scientific Computing 13 OSG-XSEDE https://osg-htc.org/iid/trggbvycsbve 11 73 TG-TRA120041 campus Champion at GWU Hanning Chen George Washington University Chemistry Computer and Information Science and Engineering 13 OSG-XSEDE https://osg-htc.org/iid/67icxo2r0nw7 11 646 TG-TRA130003 Campus Champion Renew for Tufts University Shawn Doughty Tufts University Research and Geospatial Technology Services Training 13 OSG-XSEDE https://osg-htc.org/iid/vtcuoa0mgv9x 30.3001 118 TG-TRA130007 This is a renewal request for the Campus Champion allocation for Northwest Missouri State University. David Monismith Northwest Missouri State University Mathematics, Computer Science, and Information Systems Training 13 OSG-XSEDE https://osg-htc.org/iid/iehnhhh561io 30.3001 160 TG-TRA130011 This allocation will be used to support the use of high performance computing at Indiana University of Pennsylvania. This allocation is a gateway for faculty and students at IUP to gain experience and start using XSEDE resources to further their education and research objectives. This is the Campus Champion allocation request for IUP. John Chrispell Indiana University of Pennsylvania Mathematics Computer Science 13 OSG-XSEDE https://osg-htc.org/iid/ekm8sdum58z7 30.3001 183 TG-TRA130030 I like to request renewal for my CC allocation. This allocation will help me to provide temporary resources for new users who wish to test XSEDE resources. Neranjan Edirisinghe Pathirannehelage Georgia State University Information Technology Mathematical Sciences 13 OSG-XSEDE https://osg-htc.org/iid/ybl3snr9pbs1 27 332 TG-TRA140029 The immediate purpose of this request is to have small allocations available for showcasing and quick access to a variety of XSEDE resources. Long term goals are to encourage and assist campus users in applying for their own allocations. Scott Hampton University of Notre Dame Center for Research Computing Computer Science 13 OSG-XSEDE https://osg-htc.org/iid/mavkovkq2s0l 30.3001 551 TG-TRA140036 Campus Champions Renewal David Toth Centre College Computer Science Training 13 OSG-XSEDE https://osg-htc.org/iid/apzl1q10g59m 30.3001 331 TG-TRA140043 Campus Champion allocation Igor Yakushin Pennsylvania State University Institute for CyberScience Computer and Information Science and Engineering 13 OSG-XSEDE https://osg-htc.org/iid/f1tlj6c19ppg 11 552 TG-TRA150015 Campus Champion for Wichita State University Gi Suk Hwang Wichita State University Mechanical Engineering Training 13 OSG-XSEDE https://osg-htc.org/iid/p3nn2sljiwwl 30.3001 303 TG-TRA150018 A request for initial campus champion resources for Oregon State University researchers. Stephen Wolbers Oregon State University Information Services Computer Science 13 OSG-XSEDE https://osg-htc.org/iid/h0s7lk6vj9dn 30.3001 724 TG-TRA160027 Indiana University Staff Allocation Therese Miller Indiana University Information Technology Training 13 OSG-XSEDE https://osg-htc.org/iid/uws6kivcttuc 30.3001 553 TG-TRA170047 Campus Champion for North Dakota State University Nicholas Dusek North Dakota State University Center for Computationally Assisted Science and Technology Training 13 OSG-XSEDE https://osg-htc.org/iid/der850qlvoxm 30.3001 1984311722 TG-TRA180011 Allocations to help UD clients understand what resources can potentially be available to them to extend and/or complement UDs local HPC resources. Our goal is to apply for startup or other types of allocations for clients without necessarily using the Campus Champion resource, and/or provide clients with access to one of the resources, like Bridges, via the workshops to get a sense of resources and then apply for their own allocation. These allocations will be offered as an option to our UD clients to experiment in anticipation of applying for their own allocations. Anita Schwartz University of Delaware CS&S Other Engineering and Technologies 14 OSG Connect https://osg-htc.org/iid/j2iu11x3iayo 14 512 TG-TRA180032 Campus Champion for Wichita State University. I will use the allocation to help researchers at Wichita State University learn how to utilize HPC and HTC systems in their various research projects. My goal is to use this allocation to introduce XSEDE to students and faculty. Terrance Figy Wichita State University ITS Training 13 OSG-XSEDE https://osg-htc.org/iid/p3nn2sljiwwl 30.3001 1545725009 TG-TRA210040 I will be using the allocation to help researchers at the University of Rochester to understand how to use XSEDE resources and to test which XSEDE resources best fit their needs. Baowei Liu University of Rochester Dept. of Physics & Astronomy Training 14 OSG Connect https://osg-htc.org/iid/v3s5cj6tgrvz 30.3001 1838383619 TG-TRA220011 Campus Champions allocation for Lehigh University Alexander Pacheco Lehigh University Library & Technology Services Training 14 OSG Connect https://osg-htc.org/iid/zu72yws3nzeo 30.3001 1319196150 TG-TRA220014 This Campus Champions allocation will primarily be used to allow USDA-ARS SCINet (https://scinet.usda.gov/) users to evaluate Jetstream as a possible alternative to public cloud (AWS, Azure) resources, which can be administratively difficult to obtain; as well as evaluate resources (e.g., newer GPU models) that are unavailable on SCINet HPC clusters. Nathan Weeks USDA Agricultural Research Service Corn Insects and Crop Genetics Research Unit Training 14 OSG Connect https://osg-htc.org/iid/04zshkcip94w 30.3001 1006663596 TG-TRA220017 Campus Champions Request for the University of South Dakota Bill Conn University of South Dakota ITS Training 14 OSG Connect https://osg-htc.org/iid/it45nx81xgfl 30.3001 572062507 TIFR_Balakrishnan Large scale Monte Carlo simulations for interpretation of experimental cosmic ray data. CORSIKA is one such cosmic ray simulation package widely used among the cosmic ray community for studying the extensive air shower development in the Earth's atmosphere under various simulation world conditions. Subsequently, the simulated cosmic ray secondaries are processed with detector simulation tools for generating measurable physical quantities that can be compared with experiment. These procedures are important for improving the current understanding of cosmic ray modulation in the interplanetary space and solar storms. These studies have potential impact in space-weather studies that can directly benefit the society. Hari Balakrishnan Tata Institute of Fundamental Research Tata Institute of Fundamental Research Astronomy and Astrophysics https://osg-htc.org/iid/7cvhtkt3j3un 40.0299 611925621 TJHSST_Yilmaz Thomas Jefferson High School student projects. Projects change every year, but every year we have 3-4 projects that may require extra computational power we don't have. They may require training a lot of data, which are images most of the time. Selma Yilmaz Thomas Jefferson High School for Science and Technology Computer Systems Lab Computer Science Unknown 11.0101 763 TNTech_ITS Research computing services (within Information Technology Services) and Tennessee Technology University Mike Renfro Tennessee Tech University Information Technology Services Computer Sciences 14 OSG Connect https://osg-htc.org/iid/ttqvi8xg5x2g 11.0701a 315 TPOT Project Description: TPOT is an open source Python tool that automatically creates and optimizes Machine Learning pipelines using genetic programming. GitHub repo: http://github.com/rhiever/tpot Jason H. Moore University of Pennsylvania Institute for Biomedical Informatics Bioinformatics 14 OSG Connect https://osg-htc.org/iid/nv2rjrft01gg 26.1103 402 TRNG Testing Random number Generators via parallel Testu01 package. Asia Aljahdali Florida State University Computer Science Computer and Information Science and Engineering 14 OSG Connect https://osg-htc.org/iid/0yddmgnh2xl5 11 1695579679 TU_OTS Group for OTS staff at Towson University to learn about the OSPool Stuart Page Towson University Office of Technology Services Computer and Information Services https://osg-htc.org/iid/jthubnuqeush 11.1099 164 Teamcore Solving large scale Partially Observable Markov Decision Processes (POMDPs) in order to discover efficient health intervention mechanisms which will assist in prevention of HIV spread amongst homeless youth in Los Angeles. Amulya Yadav University of Southern California Computer Science Computer and Information Science and Engineering 9 ISI https://osg-htc.org/iid/6edduwj65dlr 11 192 TechEX15 Internet2 -TechEX15 Workshop on High Throughput Computing October 8th 2015 Robert William Gardner Jr University of Chicago Computation Institute Multi-Science Community 14 OSG Connect https://osg-htc.org/iid/o14joi278jrs 30 460 TelescopeArray Telescope Array (TA) is the largest cosmic ray detector in the Northern hemisphere, which is located in Millard county, Utah. TA studies cosmic ray energy spectrum, mass composition, and arrival directions in the energy range from 4 PeV to 100 EeV and above. The address of the projects' website is http://www.telescopearray.org. Gordon Thomson University of Utah Physics Astrophysics 14 OSG Connect https://osg-htc.org/iid/iwlonrroeaal 40.0202 61714804 Temple_Spigler This work seeks to uncover the genomic signatures of urban evolution in Pieris rapae, the cabbage white butterfly. Using whole genome sequencing data, we will explore patterns of neutral and adaptive evolution, including population structure, inbreeding, genetic diversity, and positive selection. Rachel Spigler Temple University Biology Biological and Biomedical Sciences https://osg-htc.org/iid/zqk49hp4xqmb 26.9999 202609177 TexasAMK_Yang Optimization of Small Modular Reactor Core Design Xue Yang Texas A&M University-Kingsville Department of Mechanical and Industrial Engineering Nuclear Physics https://osg-htc.org/iid/vzpbrjdrxxcp 14.2301 602 TexasAM_Alsmadi Analysis of Twitter posts to determine defining characteristics of bots for identification. Izzat Alsmadi Texas A&M University Computer and Information Services Computer and Information Services 14 OSG Connect https://osg-htc.org/iid/8wqbbz4i2cma 11.01 692 TexasAM_Fang A General Framework for Inference on Shape Restrictions Zheng Fang Texas A&M University Economics Economics 14 OSG Connect https://osg-htc.org/iid/8wqbbz4i2cma 45.0602 747 TexasAM_Sun Light nuclei production in heavy-ion collisions Kaijia Sun Texas A&M University Cyclotron Institute Physics 14 OSG Connect https://osg-htc.org/iid/8wqbbz4i2cma 40.08 836 TexasTech_Corsi Detection of gravitational waves from transient signals using LIGO data. Alessandra Corsi Texas Tech University Physics and Astronomy Physics 14 OSG Connect https://osg-htc.org/iid/dm49jc7i86zx 40.08 184 TextLab Data analytics on available text with python programs James Evans University of Chicago Computation Institute Multi-Science Community 14 OSG Connect https://osg-htc.org/iid/o14joi278jrs 30 1236668135 Training-ACE-NIAID Group for ACE training (through NIAID/NIH) Mariam Quiñones NIAID/NIH Bioinformatics and Computational Biosciences Branch (BCBB) Training 14 OSG Connect https://osg-htc.org/iid/451cgt72wj62 30.3001 342 TrappedOrbits Computing a bunch of orbits in a disk galaxy in the presence of a spiral arm. The aim is to identify trapped orbits and determine the physical parameters that determine the rate of scattering out of trapped orbits. Kathryne J Daniel Bryn Mawr College Physics Astrophysics 14 OSG Connect https://osg-htc.org/iid/wrdwsan7bxsn 40.0202 693 Tufts_Hempstead Tufts Computer Architecture Lab Mark Hempstead Tufts University Electrical & Computer Engineering Computer Architecture/Computer Engineering 14 OSG Connect https://osg-htc.org/iid/vtcuoa0mgv9x 14.4701 810 Tufts_Levin The project uses a biophysical simulation engine (BETSE) to explore the parameter space of the bioelectrical dynamics of a cluster of somatic cells. Michael Levin Tufts University Department of Biology Biological and Biomedical Sciences 14 OSG Connect https://osg-htc.org/iid/vtcuoa0mgv9x 26 710 Tutorial-PEARC20 PEARC20 tutorial Mats Rynge Open Science Grid OSGConnect Computer and Information Science and Engineering 14 OSG Connect https://osg-htc.org/iid/8hgx4a4ptpt9 11 811 Tutorial-PEARC21 PEARC21 tutorial Christina Koch Open Science Grid OSGConnect Computer and Information Science and Engineering 14 OSG Connect https://osg-htc.org/iid/8hgx4a4ptpt9 11 445 U5Mortality Analyze U-5 mortality convergence and compression in developed and developing countries. Analyze lifespan inequality in U-5 mortality and how it correlates with other sources of inequality across and within countries. Shripad Tuljapurkar Stanford University Biology Biological Sciences 14 OSG Connect https://osg-htc.org/iid/keucrg5vtwtm 26 966754372 UAB_ResearchComputing Research Computing in IT at the University of Alabama - BirminghamResearch Computing in IT at the University of Alabama - Birmingham. Ralph Zottola The University of Alabama at Birmingham Research Computing Research Computing 14 OSG Connect https://osg-htc.org/iid/7hv1hsn6xv15 11.9999 2071458430 UAB_Thyme Uncovering mechanisms of intellectual disability using zebrafish as a model. Summer Thyme The University of Alabama at Birmingham Neurobiology Biological and Biomedical Sciences 14 OSG Connect https://osg-htc.org/iid/7hv1hsn6xv15 26.1599b 1671913415 UAB_Worthey Application of data science, omics, computational biology to understan phenotypic differentiator in human disease. Elizabeth Worthey The University of Alabama at Birmingham Department of Pediatrics and Pathology; CGDS Biological and Biomedical Sciences 14 OSG Connect https://osg-htc.org/iid/7hv1hsn6xv15 26 377 UADataAnalytics Enabling scalable data analytics for University of Arizona researchers Nirav Merchant University of Arizona Arizona Research Laboratories Multi-Science Community 14 OSG Connect https://osg-htc.org/iid/7rjyoz6kb8vq 30 300662056 UAF_2024_Aschwanden Andy Aschwanden University of Alaska Fairbanks Geophysical Institute Geological and Earth Sciences https://osg-htc.org/iid/85bj3tcfwa1z 40.0699b 931875864 UAF_Aschwanden Generate a physically-consistent state-estimate—a reanalysis—of the Greenland Ice Sheet (GrIS) from 1980 to 2020 Andy Aschwanden University of Alaska Fairbanks Snow, Ice and Permafrost Geological and Earth Sciences 14 OSG Connect https://osg-htc.org/iid/85bj3tcfwa1z 40.06 1022001823 UAF_PISMCloud The Parallel Ice Sheet Model (PISM) is an open-source modelling framework for ice sheets and glaciers. It is parallel, thermodynamically-coupled and capable of high resolution. PISM is used in climate science to simulate the past and future of glaciers and ice sheets, including the Earth’s two large ice sheets in Greenland and Antarctica. See pism.io for more. Joseph Kennedy University of Alaska Fairbanks Geophysical Institute Geological and Earth Sciences https://osg-htc.org/iid/85bj3tcfwa1z 40.0699b 1358937641 UALR_Basu Investigating the transformative potential of persistent virtual reality spaces (PVRS) for education, training, and skill acquisition, such as developing advanced VR platforms for medical pre-surgical planning through conformal mapping techniques, exploring the use of transformers in spatial decision-making tasks, and creating immersive visualization tools to support agricultural decision-making using remote sensing data. Aryabrata Basu University of Arkansas at Little Rock Department of Computer Science and Emerging Analytics Center Computer and Information Services https://osg-htc.org/iid/39lbghshs28k 11.0101 1471243129 UALR_Begum The focus of my research is to study the structural and electronic properties of the perovskite material BaHfS\u2083 using Density Functional Theory (DFT). Mahbuba Begum University of Arkansas at Little Rock Department of Chemistry Chemistry https://osg-htc.org/iid/39lbghshs28k 40.0501 495965557 UALR_EAC The Donaghey Emerging Analytics Center (EAC, [http://eac.ualr.edu]) is an academic department within UA Little Rock with a focus on research and development in immersive visualization, augmented/virtual/mixed realities, and interactive technologies in general. The EAC is further including in its portfolio research in cybersecurity, mobile/ubiquitous computing, and the internet-of-things, as well as applications of machine and deep learning. Additionally, the EAC is collaborating very closely with the Department of Computer Science at UA Little Rock, where the computer science department is the prime talent pool for the EAC while the EAC offers wide-ranging opportunities for students in professional software development as well as academic and industry research. Jan Springer University of Arkansas at Little Rock Donaghey Emerging Analytics Center Computer and Information Science 14 OSG Connect https://osg-htc.org/iid/39lbghshs28k 11.0804 1892807723 UALR_Goodarzi focus on drug discovery for infection and cancer, leveraging computational methods. Specifically, I utilize computation for analyzing protein-protein interactions, protein-ligand interactions, and multivariate analysis. This approach aids in identifying potential drug targets and understanding molecular mechanisms. Overall, my work integrates computational tools to advance drug discovery efforts against infection and cancer. Mohammad Goodarzi University of Arkansas at Little Rock Chemistry Biochemistry https://osg-htc.org/iid/39lbghshs28k 26.0202 1255246248 UALR_ITS Accounts for ITS staff members at the University of Arkansas, Little Rock Timothy Stoddard University of Arkansas at Little Rock IT Services Research Computing 14 OSG Connect https://osg-htc.org/iid/39lbghshs28k 11.0701b 1758954186 UALR_Rodriguez-Conde Social media platforms have changed how information is shared and how communities interact. Among these platforms, Reddit stands out as a major hub for discussions, helping to form and grow niche communities. This project aims to explore the evolution of the computer vision community on Reddit by using advanced methods to understand how people engage, share knowledge, and collectively develop an understanding of computer vision over time. Ivan Rodriguez-Conde University of Arkansas at Little Rock Emerging Analytics Center Computer and Information Services https://osg-htc.org/iid/39lbghshs28k 11.0101 534562129 UALR_Wang This research focuses on understanding the structure and function of plant transfer cells, specialized cells that enhance nutrient transport through wall ingrowths and increased membrane surface area. The study investigates how these cells contribute to efficient nutrient uptake, particularly under stress or developmental conditions. Hong Li Wang University of Arkansas at Little Rock Biology Agronomy https://osg-htc.org/iid/39lbghshs28k 01.0304 392197722 UA_Kocot Biodiversity and evolution of marine invertebrates Kevin Kocot University of Alabama Department of Biological Sciences Biological and Biomedical Sciences https://osg-htc.org/iid/h3mnbxmdwx24 26.0702c 805844088 UA_OIT Our goal is to educate researchers on how to use OSG to perform their research. We have researchers working on medical technology, biology, chemistry, data science, machine learning, and artificial intelligence. Donald Jay Cervino University of Alabama Office of Information Technology Computer and Information Services 14 OSG Connect https://osg-htc.org/iid/h3mnbxmdwx24 11.01 1963393930 UC-Staff UC staff - testing and monitoring Robert William Gardner Jr University of Chicago Physics Computer Science 30 OSG https://osg-htc.org/iid/o14joi278jrs 11.0701b 593 UCAnschutz_Langner Understanding efficiency losses due to data coarsening Elizabeth Juarez-Colunga University of Colorado Anschutz Medical Campus Biostatistics and Medical Informatics Biostatistics 14 OSG Connect https://osg-htc.org/iid/ca3jfb3f8sv3 26.1102 784 UCBerkeley_Altman Investigating the electronic properties of materials at low temperatures Ehud Altman University of California, Berkeley Physics Physics 14 OSG Connect https://osg-htc.org/iid/7rhak0ujmsoe 40.0808 1560488732 UCBerkeley_Chen Machine learning research with potential applications to the healthcare domain. Lab website: chenlab.io Irene Chen University of California, Berkeley Computational Precision Health Computer and Information Science and Engineering https://osg-htc.org/iid/7rhak0ujmsoe 11.0101 733156299 UCBerkeley_Efros CS180 class projects Alexie Efros University of California, Berkeley EECS Computer Science https://osg-htc.org/iid/7rhak0ujmsoe 11.0701 1121656630 UCBerkeley_Garratt Dynamics, measurement, and simulation of many-body quantum systems https://sites.google.com/view/sjgarratt/home Samuel Garratt University of California, Berkeley Department of Physics Physics https://osg-htc.org/iid/7rhak0ujmsoe 40.0801 1599235648 UCBerkeley_Laliwala I am parsing India's publicly available voter rolls into analyzable formats to enable research on migration and voter behaviour, among other things. My work will create a large-scale dataset that will benefit other researchers and policymakers. Sharik Laliwala University of California, Berkeley Political Science Advanced Scientific Computing https://osg-htc.org/iid/7rhak0ujmsoe 45.1001 1191276236 UCBerkeley_Zaletel Tensor networks provide an efficient approximation to quantum many-body wavefunctions and a controllable method to simulate quantum computing on classical hardware. We apply these techniques to problems in condensed matter physics and quantum error correction. Mike Zaletel University of California, Berkeley Physics Condensed Matter Physics 14 OSG Connect https://osg-htc.org/iid/7rhak0ujmsoe 40.0808 1999163399 UCDavis_Leveau Study of plant-microbe interactions specifically pertaining to microbes in the phyllosphere (leaf surface) Johan Leveau University of California, Davis Department of Plant Pathology Biological and Biomedical Sciences 14 OSG Connect https://osg-htc.org/iid/f62wuiqfjmxm 1.1101 704 UCDavis_Pickett Computational survey and analysis of superconducting hydrides at high pressure Warren E. Pickett University of California, Davis Physics Materials Science 14 OSG Connect https://osg-htc.org/iid/f62wuiqfjmxm 40.1001 862327868 UCDavis_Yarov-Yarovoy https://health.ucdavis.edu/physiology/faculty/yarovoy.html Vladimir Yarov-Yarovoy University of California, Davis Physiology and Membrane Biology Computational Biology 14 OSG Connect https://osg-htc.org/iid/f62wuiqfjmxm 26.1104 664 UCDenver_Butler Data-Consistent Approaches for Uncertainty Quantification Troy Butler University of Colorado Denver Mathematical and Statistical Sciences Mathematics 14 OSG Connect https://osg-htc.org/iid/m27szfeh7gut 27.01 661 UCDenver_Farguell Wildland Fire Modeling Angel Farguell University of Colorado Denver Mathematical and Statistical Sciences Atmospheric Science and Meteorology 14 OSG Connect https://osg-htc.org/iid/m27szfeh7gut 40.04 886033397 UCDenver_Gaffney Musculoskeletal Biomechanics of Amputees Brecca Gaffney University of Colorado Denver CEDC-Mechanical Engineering Engineering 14 OSG Connect https://osg-htc.org/iid/m27szfeh7gut 14 1045555319 UCDenver_Hartke Using discharging method to prove upper bounds on coloring parameters for sparse graph classes Stephen Hartke University of Colorado Denver Mathematical and Statistical Sciences Mathematics 14 OSG Connect https://osg-htc.org/iid/m27szfeh7gut 27.01 801 UCDenver_Kechris Addressing sparsity in metabolomics data analysis Katerina Kechris University of Colorado Denver Biostatistics and Informatics Biological Sciences 14 OSG Connect https://osg-htc.org/iid/m27szfeh7gut 26 616 UCDenver_Mandel regression testing on OSG Jan Mandel University of Colorado Denver Mathematical and Statistical Sciences Mathematics 14 OSG Connect https://osg-htc.org/iid/m27szfeh7gut 27.01 234698689 UCDenver_Roberts Cryogenic Dark Matter Search (CDMS) data to constrain basic properties of the response of germanium and silicon to deposited energy. Amy Roberts University of Colorado Denver Physics Department/SuperCDMS Collaboration Physics https://osg-htc.org/iid/m27szfeh7gut 40.0801 1192096055 UCF_Azar Use of LLM in Hardware Security and Verification Kimia Zamiri Azar University of Central Florida Electrical and Computer Engineering Computer and Information Services https://osg-htc.org/iid/ozb6tv0up0g3 11.1003 596 UCF_Bennett DFT Calculations Christopher Bennett University of Central Florida Physics/Planetary Science Physics 14 OSG Connect https://osg-htc.org/iid/ozb6tv0up0g3 40.08 2140638897 UCF_Borges Solve inverse mathematics problems Carlos Borges University of Central Florida Math Mathematics https://osg-htc.org/iid/ozb6tv0up0g3 27.0303 622 UCF_GRIT UCF's Graduate and Research Information Technology (GRIT) provides innovative and effective digital services that are strategically aligned to the goals of research and graduate programs. Ozlem Garibay University of Central Florida Office of Research and Graduate Studies Research Computing 14 OSG Connect https://osg-htc.org/iid/ozb6tv0up0g3 11 529 UCF_IT Project for UCF IT staff for exploring and using OSG Connect Tim Larson University of Central Florida Information Technolgoy Technology 14 OSG Connect https://osg-htc.org/iid/ozb6tv0up0g3 30.3001 678950052 UCF_Kara We are investigating the utility of sophisticated computational methods for material design and discovery — this includes but is not limited to density functional theory, genetic algorithms, and machine learning. Our applications include catalysis, energy storage, and device design. At the moment, we are focusing on high entropy materials, and analyzing the extent to which these methods can help us screen the vast possibilities available to such systems. Abdelkader Kara University of Central Florida Physics Materials Science https://osg-htc.org/iid/ozb6tv0up0g3 40.1001 1080743158 UCF_Karalidi We will be using the OSPool to assist with the creation of radiative transfer models of heterogeneous terrestrial exoplanets that incorporate diurnal rotation and seasonal variability. Spectra will be generated over the visible to near-infrared wavelengths and cover all major planetary phase angles. Theodora Karalidi University of Central Florida Planetary Sciences Group, Department of Physics Astronomy and Astrophysics https://osg-htc.org/iid/ozb6tv0up0g3 40.0203 1411921077 UCF_Khan Investigating the ability of neural networks to represent functions in the context of approximation theory. We seek to uncover areas of scientific computing in which neural networks provide a 'better-than-nothing' approximation of a solution in high-dimensional problems wherein classical scientific computing methods fail. The primary area of investigation is the ability of a neural network to capture inherent low-dimensional structure present in high-dimensional functions. Fahad Khan University of Central Florida Research Cyberinfrastructure Mathematics and Statistics https://osg-htc.org/iid/ozb6tv0up0g3 27.0503 617 UCF_Wiegand Predictions on Traffic with Deep Learning and Reinforcement Learning Paul Wiegand University of Central Florida Intitute for Simulation and Training Computer Science 14 OSG Connect https://osg-htc.org/iid/ozb6tv0up0g3 11.07 1094537355 UCF_Yao Exploring the behavior and robustness of deep learning and large language models under various experimental conditions, with a focus on evaluating fine-tuning performance across different configurations and hardware environments. Fan Yao University of Central Florida Electrical and Computer Engineering Computer and Information Services https://osg-htc.org/iid/ozb6tv0up0g3 11.0101 994808025 UCF_Yuksel This project explores methods and architectures that use machine learning to predict and install network flows before they arrive at a software-defined networking (SDN) domain. In Reactive SDN, a new flow causes interaction between the SDN controller and the SDN switch. The goal of the project is to reduce the delay caused by these controller-switch interactions to process new flows. Murat Yuksel University of Central Florida Electrical and Computer Engineering Engineering https://osg-htc.org/iid/ozb6tv0up0g3 14.4701 1968105797 UCF_Zou Using computational tools to investigate properties of materials. Shengli Zou University of Central Florida Department of Chemistry Chemistry 14 OSG Connect https://osg-htc.org/iid/ozb6tv0up0g3 40.0501 842 UCHC_Mendes We follow the Systems Biology approach, where biological phenomena are seen as resulting from the interactions of its constituents. Interpreting these phenomena requires the use of quantitative methods and computation. We work on many aspects of Computational Systems Biology: Development of modelling and simulation software (like COPASI) Construction of large-scale cellular models (digital organisms) Parameter estimation and sensitivity analysis Standards for systems biology Multiscale modelling and simulation Reverse-engineering biological networks (top-down modelling) Enzyme kinetics for model construction (bottom-up modelling) We are also involved in modeling biological phenomena: The network of iron absorption, metabolism and signalling in mammals Dynamics of eukaryotic protein synthesis Mixed species Candida albicans-bacterial biofilm formation Pedro Mendes University of Connecticut Health Center Department of Cell Biology Biological Sciences 14 OSG Connect https://osg-htc.org/iid/z1cema4pdiep 26 537 UCIAtlas University of California, Irvine Atlas Group Anyes Taffard University of California, Irvine Physics High Energy Physics 35 ATLAS https://osg-htc.org/iid/ss614ab1u5qd 40.0804 577 UCI_Jeliazkov Ivan Jeliazkov University of California, Irvine Economics Economics 14 OSG Connect https://osg-htc.org/iid/ss614ab1u5qd 45.06 591 UCI_McnLab Looking at widefield calcium imaging data from different brain regions Bruce McNaughton University of California, Irvine Neurobiology and Behavior Neuroscience 14 OSG Connect https://osg-htc.org/iid/ss614ab1u5qd 26.15 2051187213 UCI_Sheng Research on the US housing market and transactions with the aim of comprehending how housing prices move and are correlated with each other. Jinfei Sheng University of California, Irvine Paul Merage School of Business Economics https://osg-htc.org/iid/ss614ab1u5qd 19 731 UCLA_Huang Studying $\Omega$-hadron correlation to search for signatures of baryon junction mechanisms at RHIC BES energies. Huan Zhong Huang Arizona State University Physics and Astronomy Astronomy 14 OSG Connect https://osg-htc.org/iid/er1rnzey26m9 40.02 1179045082 UCLA_OARC Office of advanced computing center staff at UCLA Tajendra Vir Singh University of California, Los Angeles OARK Computer Science 14 OSG Connect https://osg-htc.org/iid/4vhk41w4vvn6 11.07 628 UCLA_Zhu Vision, Cognition, Learning and Autonomy Song-Chun Zhu University of California, Los Angeles Computer Science Computer Science 14 OSG Connect https://osg-htc.org/iid/4vhk41w4vvn6 11.07 904603152 UCMerced_CENVAL-ARC_2025 Project for 2025 CENVAL-ARC Symposium participants Sarvani Chadapalaka University of California, Merced Cyberinfrastructure and Research Computing Computer Science https://osg-htc.org/iid/x5v4n3xgq7lu 11.0101 477226903 UCMerced_CIRT We will train students in accessing and using HPC resources for their research. https://cenval-arc.ucmerced.edu/ Emily Jane McTavish University of California, Merced Life and Environmental Sciences Computer and Information Science and Engineering https://osg-htc.org/iid/x5v4n3xgq7lu 11.0101 492894361 UCMerced_Nierenberg Dark matter measurements with strong gravitational lensing. https://annanierenberg.com/ Anna Nierenberg University of California, Merced Physics Astronomy and Astrophysics https://osg-htc.org/iid/x5v4n3xgq7lu 40.0202 111632526 UCMerced_Pandey Interested in building scalable pipelines for computational modeling of engineered biological systems. This includes development of dynamical system models such as ODEs and PDEs, chemical reaction graphs models, and parameter identification using Bayesian inference methods. Ayush Pandey University of California, Merced Electrical Engineering Computer and Information Services https://osg-htc.org/iid/x5v4n3xgq7lu 11.0101 597 UCMerced_Shi Molecular modeling of complex condensed-phase systems Liang Shi University of California, Merced Chemistry and Biochemistry Chemistry 14 OSG Connect https://osg-htc.org/iid/x5v4n3xgq7lu 40.0501 713 UCR_ITSStaff Research Computing Staff in Information Technology Solutions (ITS) at University of California, Riverside. Chuck Forsyth University of California, Riverside Information Technology Solutions Computer and Information Sciences 14 OSG Connect https://osg-htc.org/iid/zy99b9jjoqpb 11 13564829 UCSB_Bao I am a theorist working on the intersection of condensed matter physics and quantum information science. My recent focus is many-body quantum dynamics, quantum error correction, and topological phases. My research uses both analytical methods and numerical tools such as tensor networks, Monte Carlo simulation, and Clifford simulation. Here is a link to my Google scholar profile. Yimu Bao University of California, Santa Barbara Kavil Institute of Theoretical Physics Condensed Matter Physics https://osg-htc.org/iid/rglo22hiw2ge 40.0808 798548850 UCSB_Jablonski Training researchers on HTCondor and the OSPool. Jon Jablonski University of California, Santa Barbara Library Research Computing https://osg-htc.org/iid/rglo22hiw2ge 25.0101 1470550339 UCSB_Xu Running large scale Monte Carlo algorithm in order to study the informational aspects of open quantum system, including those involving dissipation and measurement. https://sites.google.com/view/xucenkewebsite/home Cenke Xu University of California, Santa Barbara Department of Physics Condensed Matter Physics https://osg-htc.org/iid/rglo22hiw2ge 40.0808 1283205928 UCSC_Reguero The COSMOS-ADAPTS project aims to include adaptation strategies in Coastal California when modeling benefit cost-analysis for interventions in the coast. Borja Reguero University of California, Santa Cruz Center for Coastal Climate Resilience Civil Engineering https://osg-htc.org/iid/n6cai04882ca 14.0801 483473540 UCSC_Williams Simulations of performances of the Cherenkov Telescope Array (CTA). It is specially focused on studying and optimizing the performances of the CTA-US Schwarzschild-Couder Telescope (SCT) for its implementation in the Southern array of CTA. Useful links: CTA (https://www.cta-observatory.org/), Current SCT prototype installed at the Fred Whipple Lawrence Observatory https://cta-psct.physics.ucla.edu/index.html David Williams University of California Santa Cruz Physics Astronomy and Astrophysics 14 OSG Connect https://osg-htc.org/iid/n6cai04882ca 40.0202 81 UCSDEngEarthquake Earthquake Engineering from UCSD supported users Frank Wuerthwein University of California, San Diego Physics Engineering 4 UCSD https://osg-htc.org/iid/06wup3aye2t7 14 80 UCSDPhysAstroExp Experimental Astrophysics from UCSD supported users Frank Wuerthwein University of California, San Diego Physics Astrophysics 4 UCSD https://osg-htc.org/iid/06wup3aye2t7 40.0202 79 UCSDPhysAstroTheo Theoretical Astrophysics from UCSD supported users Frank Wuerthwein University of California, San Diego Physics Astrophysics 4 UCSD https://osg-htc.org/iid/06wup3aye2t7 40.0202 83 UCSDPhysBio Biological Physics from UCSD supported users Frank Wuerthwein University of California, San Diego Physics Biophysics 4 UCSD https://osg-htc.org/iid/06wup3aye2t7 26.02 82 UCSDPhysPart Non-CMS Particle Physics from UCSD supported users Frank Wuerthwein University of California, San Diego Physics High Energy Physics 4 UCSD https://osg-htc.org/iid/06wup3aye2t7 40.08 857779808 UCSD_2024_Kandes Mahidhar Tatineni University of California, San Diego Computer and Information Science and Engineering https://osg-htc.org/iid/06wup3aye2t7 11.0101 150876920 UCSD_Altintas Sage AI@Edge provides an image search service that requires a high throughput computing backend to process millions to trillions of images through an AI-driven workflow. The compute backend requires GPUs and a low latency processes that scales for the number of images produce and hosted by Sage. More information at https://sagecontinuum.org/ Ilkay Altintas University of California, San Diego SDSC Computer Science https://osg-htc.org/iid/06wup3aye2t7 11.0101 956134117 UCSD_Andrijauskas Research students working with Fabio. Projects include: information visualization for the OSDF transfer logs, solar image processing using the OSDF and OSPool. Fabio Andrijauskas University of California, San Diego San Diego Supercomputing Center Computer Science https://osg-htc.org/iid/06wup3aye2t7 11.0101 732 UCSD_Arovas Entanglement in boundary driven systems Daniel Arovas University of California, San Diego Physics Physics 14 OSG Connect https://osg-htc.org/iid/06wup3aye2t7 40.08 36187940 UCSD_Bradic Causal Inference and Machine Learning. Specifically, we are interested in finding optimal individualized treatment rules and provide theoretical guarantees. Jelena Bradic University of California, San Diego Department of Mathematical Sciences & Halicioglu Data Science Institute Mathematical Sciences https://osg-htc.org/iid/06wup3aye2t7 30.7001 1252207184 UCSD_Du Our research group focuses on developing quantum sensing and imaging techniques to study various properties (spin, charge, and heat, etc) of quantum materials in the nanometer scale. In addition, we design and engineer hybrid quantum devices to achieve efficient qubit control for quantum information applications. Our research tools are versatile, including optical measurement based on nitrogen vacancy center in diamond, transport and microwave spectroscopy as well as scanning probe magnetometry. Chunhui Du University of California, San Diego Physics Physics https://osg-htc.org/iid/06wup3aye2t7 40.08 100142798 UCSD_Duarte Machine learning (ML) development for particle physics, primarily for the CMS experiment at the CERN Large Hadron Collider. Javier Duarte University of California, San Diego Department of Physics High Energy Physics 14 OSG Connect https://osg-htc.org/iid/06wup3aye2t7 40.08 699 UCSD_Elman Identifying genetic and biological subtypes of Alzheimer’s disease Jeremy Elman University of California, San Diego Psychiatry Biology 14 OSG Connect https://osg-htc.org/iid/06wup3aye2t7 26 1617146578 UCSD_Fricker Use satellite remote sensing data to study processes that affect mass loss from the Antarctic Ice Sheet Helen Fricker University of California, San Diego Scripps Institution of Oceanography Geological and Earth Sciences 14 OSG Connect https://osg-htc.org/iid/06wup3aye2t7 40.0601 838207560 UCSD_George We develop rodent models of addiction, test addiction-like behaviors, neuroadaptations, and novel treatment approaches Applying machine learning and causal inference methods to the analysis of biomedical data. Olivier George University of California, San Diego Psychiatry Health Sciences https://osg-htc.org/iid/06wup3aye2t7 30.1001 1767081475 UCSD_Gilson We use theoretical, computational, informatic, and experimental approaches to evaluate and advance the methods of computer-aided drug design. We also work on drug discovery projects and study molecular motors and other nonequilibrium systems. Michael Gilson University of California, San Diego Skaggs School of Pharmacy & Pharmaceutical Sciences Chemistry 14 OSG Connect https://osg-htc.org/iid/06wup3aye2t7 40.0501 795744068 UCSD_Goetz Emerging machine learning (ML) models enable the design of atomistic interaction potentials for molecular simulations that are both accurate and computationally efficient. Training of these ML models requires a large number of reference data in form of energies and nuclear forces of relevant molecular conformations and intermolecular interactions. This project will compute accurate quantum mechanical reference energies and forces using density functional theory and coupled cluster theory of relevance for chemical and biomolecular simulations. Andreas Goetz University of California, San Diego San Diego Supercomputing Center Chemistry 14 OSG Connect https://osg-htc.org/iid/06wup3aye2t7 40.05 612 UCSD_Grover Use Monte Carlo simulation to study Newmann Moore model Tarun Grover University of California, San Diego Physics Physics 14 OSG Connect https://osg-htc.org/iid/06wup3aye2t7 40.08 363689105 UCSD_Guiang Improve performance of data downsampling tools for future LHC runs Jonathan Guiang University of California, San Diego Physics Physics 14 OSG Connect https://osg-htc.org/iid/06wup3aye2t7 40.08 752 UCSD_Hsiao Develop AI algorithm to diagnose CT scans of pneumonia patients: https://www.kpbs.org/news/2020/apr/07/ucsd-using-ai-identify-pneumonia-coronavirus/ Albert Hsiao University of California, San Diego Radiology Radiological Science 14 OSG Connect https://osg-htc.org/iid/06wup3aye2t7 51 700 UCSD_Kandes Brute-Force Search for Nonlinear Enhancements to the Sagnac Effect in Matter Waves Martin Charles Kandes University of California, San Diego San Diego Supercomputing Center Physics 14 OSG Connect https://osg-htc.org/iid/06wup3aye2t7 40.08 1108240486 UCSD_Knight The project focuses on constructing a microbial reference genome database. Specifically, OSG resources will be leveraged to conduct annotations of ~1.6 million genomes. Rob Knight University of California, San Diego Pediatrics Biological and Biomedical Sciences https://osg-htc.org/iid/06wup3aye2t7 26.9999 769 UCSD_Libgober Scraping Names off of FCC Exparte Meeting Logs Brian Libgober University of California, San Diego School of Global Policy and Strategy Social Sciences 14 OSG Connect https://osg-htc.org/iid/06wup3aye2t7 45.1001 630561480 UCSD_McGreevy We are studying chiral states on a lattice system John McGreevy University of California, San Diego Physics Physics 14 OSG Connect https://osg-htc.org/iid/06wup3aye2t7 40.08 1319306625 UCSD_Pa Big data approaches to investigating modifiable risk factors and lifestyle-based interventions in Alzheimer's disease Judy Pa University of California, San Diego School of Medicine, Alzheimer’s Disease Cooperative Study (ADCS) Biological Sciences 14 OSG Connect https://osg-htc.org/iid/06wup3aye2t7 26 1732585414 UCSD_Politis Bootstrap hypothesis testing methods for time series - we are trying to compute the rejection probabilities of our hypothesis testing method as a measure of their efficacy. This requires generating several samples of time series for a given sample size and hyperparameter specification and running our test repeatedly to compute the empirical rejection probability. This is done over several sample sizes and hyperparameter specs. Dimitris N Politis University of California, San Diego Department of Mathematics Mathematics and Statistics https://osg-htc.org/iid/06wup3aye2t7 27.0503 614480514 UCSD_Rao Machine learning algorithms for signal processing and communications, particularly mmWave and medical imaging. Bhaskar Rao University of California, San Diego Electrical and Computer Engineering Computer and Information Sciences https://osg-htc.org/iid/06wup3aye2t7 30.7099b 636 UCSD_Rappel Biophysics simulations Wouter-Jan Rappel University of California, San Diego Physics Physics 14 OSG Connect https://osg-htc.org/iid/06wup3aye2t7 40.0804 632 UCSD_ResearchIT General group for OSG testing and prototyping Alan Moxley University of California, San Diego Information Technology Computer Science 14 OSG Connect https://osg-htc.org/iid/06wup3aye2t7 30.3001 2049357899 UCSD_Sfiligoi The mission of the Global Infrastructure Lab (GIL) is to tests and evaluate infrastructure software. This project is used to exercise the OSPool services. Igor Sfiligoi University of California, San Diego San Diego Supercomputing Center Computer and Information Science and Engineering https://osg-htc.org/iid/06wup3aye2t7 11.0101 568705068 UCSD_Shah The Shah lab develops biomaterials to direct immune activity and function. Nisarg Shah University of California, San Diego Nanoengineering Department Engineering 14 OSG Connect https://osg-htc.org/iid/06wup3aye2t7 14.0501 470958176 UCSD_WatsonParris I lead the Climate Analytics Lab (CAL) where we focus on understanding the interactions between aerosols and clouds, and their representation within global climate models: https://climate-analytics-lab.github.io CAL is leading the development of a variety of machine learning tools and techniques to alleviate these difficulties and optimally combine a variety of observational datasets, including global satellite and aircraft measurements, to constrain and improve these models. Duncan Watson-Parris University of California, San Diego Scripps Atmospheric Sciences https://osg-htc.org/iid/06wup3aye2t7 40.0401 791 UCSD_Wuerthwein_CMSUAF Work submitted as part of the CMS analysis group at the physics department at UCSD Frank Wuerthwein University of California, San Diego Physics Department Physics 4 UCSD https://osg-htc.org/iid/06wup3aye2t7 40.08 2002587411 UCSD_Xu Applying machine learning and causal inference methods to the analysis of biomedical data. Ronghui (Lily) Xu University of California, San Diego Mathematics Mathematics 14 OSG Connect https://osg-htc.org/iid/06wup3aye2t7 27.0101 579 UCSD_YZYou Numerical verification of the entanglement feature (EF) approach to modeling the second Renyi entropy growth of a random circuit. We will compare the exact calculation to the calculation using the EF Hamiltonian, derived separately using analytical techniques. Yi-Zhuang You University of California, San Diego Physics Physics 14 OSG Connect https://osg-htc.org/iid/06wup3aye2t7 40.08 736 UCSF_Manglik G protein coupled receptor (GPCR) modeling Aashish Manglik University of California, San Francisco Pharmaceutical Chemistry Biological and Biomedical Sciences 14 OSG Connect https://osg-htc.org/iid/7nlvlasx7q46 26 27 UChicago-RCC University of Chicago Research Computing Center (http://rcc.uchicago.edu) supporting the computational requirements of multiple science domains. Birali Runesha University of Chicago Research Computing Center Training 14 OSG Connect https://osg-htc.org/iid/o14joi278jrs 30.3001 662 UChicago_Barton Exploring Data Caching and Federation on the OSG Thomas Barton The University of Chicago Information Technology Services Infrastructure Development 14 OSG Connect https://osg-htc.org/iid/o14joi278jrs 30.3001 326777418 UChicago_Dhanke My research focuses on the application of Bayesian Neural Networks (BNNs) for uncertainty estimation in medical image classification, particularly in analyzing Chest X-ray datasets. By integrating advanced deep learning techniques with Bayesian inference methods, I aim to enhance the reliability of AI-assisted diagnostics in healthcare. Sarthak Sunil Dhanke University of Chicago Physical Sciences Division Computer and Information Services https://osg-htc.org/iid/o14joi278jrs 11.0101 786 UChicago_Jonas Developing machine learning techniques for chemical spectroscopy Eric Jonas University of Chicago Computer Science Chemistry 14 OSG Connect https://osg-htc.org/iid/o14joi278jrs 40.05 765259767 UConn_Alpay Our team of scientists uses computational and theoretical methodologies to understand and address fundamental problems in materials science and engineering. Collectively, we have a broad spectrum of research interests with myriad applications. We use our understanding to design advanced materials that impact the way we live, including functional materials, smart materials, aerospace, nanostructured materials and materials for energy efficiency. https://alpay.ims.uconn.edu/ Pamir Alpay University of Connecticut Materials Science and Engineering Materials Science https://osg-htc.org/iid/eq81k8qpbcq9 40.1001 1306011315 UConn_Chen Bayesian methods for leveraging historical data in clinical trials and Bayesian adaptive designs. Ming-Hui Chen University of Connecticut Statistics Statistics 14 OSG Connect https://osg-htc.org/iid/eq81k8qpbcq9 27.0601 1411631898 UConn_Le Methods for ultrafast molecular structure imaging with ultrashort intense laser pulses Thu Le University of Connecticut Physics Physics 14 OSG Connect https://osg-htc.org/iid/eq81k8qpbcq9 40.0802 1793223873 UConn_Wang As the size of data explodes during the big data era, we develop a strategy to select more informative data points for building models to alleviate the computation burden. In contrast to previous studies on parametric models, our research explores the efficacy of optimal subsampling methods in gradient boosting trees, a semi-parametric method. HaiYing Wang University of Connecticut Department of Statistics Statistics https://osg-htc.org/iid/eq81k8qpbcq9 27.0503 780 UConn_Zhang Graph-based clustering method with application to single-cell RNA-seq data from human pancreatic islets Yuping Zhang University of Connecticut Department of Statistics Mathmatics and Statistics 14 OSG Connect https://osg-htc.org/iid/eq81k8qpbcq9 27 714693215 UConn_Zhu GERS Laboratory working on big earth observation data and environmental change Zhe Zhu University of Connecticut Department of Natural Resources and the Environment Earth and Ocean Sciences 14 OSG Connect https://osg-htc.org/iid/eq81k8qpbcq9 40 821 UEdinburgh_DUNE The Deep Underground Neutrino Experiment is an international flagship experiment to unlock the mysteries of neutrinos. Stefan Söldner-Rembold University of Edinburgh Physics and Astronomy Physics 14 OSG Connect https://osg-htc.org/iid/5s885xc1ooke 40.08 607710088 UF_Hirschfeld Magnetic and toopological properties of line defects in multiband superconductors. use Bogoliubov-de Gennes equations Peter Hirschfeld University of Florida Physics dept. Physics 14 OSG Connect https://osg-htc.org/iid/84k5udeuw65m 40.08 1223091073 UF_Karmakar In this project we explore comparative forecasting performance of different sequence of nested models. In this day and time of large parameter based models such as Neural nets or LLM, it has become important to understand whether a parsimonious (less parameters) model can yield forecasts of statistically equal accuracy. This project explores this forecasting comparison via different econometric metric and aims to establish theoretical foundation. Some of the related publications can be found at https://sayarkarmakar.github.io/pages/pubs.html Sayar Karmakar University of Florida Department of Statistics Mathematics https://osg-htc.org/iid/84k5udeuw65m 27.0503 729 UF_Staff Group for research computing staff at University of Florida Erik Deumens University of Florida Information Technology Computer Sciences 14 OSG Connect https://osg-htc.org/iid/84k5udeuw65m 11.0701a 1617569803 UF_Strother The Strother Lab focuses on questions at the interface between physiology and physics. Our lab is especially interested in understanding processes at multiple levels of organization, from the properties of individual cells up to the responses of the whole animal. Current projects in the lab examine a range of topics, including the effects of stress on animal behavior, nervous control of the cardiovascular system, and sensory physiology. See also www.strotherlab.org. James Strother University of Florida Whitney Laboratory for Marine Bioscience Neuroscience, biomechanics, microscopy https://osg-htc.org/iid/84k5udeuw65m 26 484 UHITSACI A project to help get users from UH onto open science grid. Sean Cleveland University of Hawaii Cyberinfrastructure Computer and Information Science and Engineering 14 OSG Connect https://osg-htc.org/iid/dsdkrs83f44q 11 1614229361 UIC_Lan Log analysis of supercomputers at ALCF. Zhiling Lan University of Illinois Chicago Computer Science Computer Science https://osg-htc.org/iid/y691qclum4cv 11.0701b 321400617 UIowa_Goddard Over the past decade, the scale and resource demands of neural networks have grown exponentially. Building on previous empirical research, we propose a novel algorithm called Layer Collapse, inspired by Iterative Magnitude Pruning (IMP). While IMP offers significant model compression with minimal accuracy loss, it requires specialized libraries and hardware for real-world speedups. Layer Collapse overcomes these challenges by merging the weights of pruned layers, enabling efficient compression without the need for specialized infrastructure. Steve Goddard University of Iowa Computer Science Computer Science https://osg-htc.org/iid/2eafckbgu51c 11.0199 807 UIowa_Reno Developing a mission-independent neutrino & lepton simulation/propagation package Mary Hall Reno University of Iowa Physics & Astronomy Astronomy 14 OSG Connect https://osg-htc.org/iid/2eafckbgu51c 40.0202 761 UIowa_Sahin Defects in Wide Band-gap Semiconductors for Novel Quantum Materials Cuneyt Sahin University of Iowa Physics and Astronomy Condensed Matter and Materials Physics 14 OSG Connect https://osg-htc.org/iid/2eafckbgu51c 40.0808 1409904489 UIowa_Villarini The research will focus broadly on flood hydrology, extreme events, hydroloclimatology, and climate predictions. It will be done by the processing of spatial and temporal datasets and running simple statistical models. Gabriele Villarini University of Iowa Civil and Environmental Engineering Civil Engineering 14 OSG Connect https://osg-htc.org/iid/2eafckbgu51c 14.08 502024744 ULLafayette_Hei While fine-tuning large language models (LLMs) to follow instructions has emerged as a pivotal paradigm, enabling promising applications such as ChatGPT and GitHub Copilot, the capability to follow arbitrary instructions also introduces acute vulnerabilities. This project aims to deepen understanding of the security and privacy risks associated with large instruction-tuned language models and to obtain insights on how to mitigate these risks. Xiali Hei University of Louisiana at Lafayette Center for Advanced Computer Studies Computer and Information Science and Engineering https://osg-htc.org/iid/2cp294m0uq0z 30.7099b 1221687120 UMBC_Nasipak Gravitational wave modeling, specifically the modeling the dynamics and gravitational waves of black hole binaries known as extreme-mass-ratio inspirals for future milliHertz detectors. Zachary Nasipak University of Maryland, Baltimore County Center for Space Sciences and Technology Astronomy https://osg-htc.org/iid/lzltwgdaag8g 40.0201 1582657206 UMB_Raman We work on the structural biochemistry of energy conservation by organisms that thrive at the extremes of life. C. S. Raman University of Maryland, Baltimore Department of Pharmaceutical Sciences Biological and Biomedical Sciences https://osg-htc.org/iid/atbdx81kfmv4 26.9999 787 UMCES_Fitzpatrick Using machine learning and other methods to modeling the vulnerability of species to climate change. Matthew Fitzpatrick University of Maryland Center for Environmental Science Appalachian Lab Biological Sciences 14 OSG Connect https://osg-htc.org/iid/hy2af2w9vmyk 26 613 UMN_RF_Staff Research Facilitation support at the University of Minnesota Charles Nguyen University of Minnesota Office of Information Technology Computer and Information Services 14 OSG Connect https://osg-htc.org/iid/3chofmlz7p5r 11.01 610 UMT_Warren Public health projects such as the effect of wildfires on the respiratory health of children in rural vs urban areas, hydrology modeling in the continental US using realtime GIS data and genetic and migratory patterns in animal populations whose movement is impacted by man-made structures. Allen Warren University of Montana School of Public and Community Health Services Mathematics and Statistics 14 OSG Connect https://osg-htc.org/iid/sdmbw89obfoi 27 2041652602 UMaine_Legaard Inverse parameterization of biomass growth in the LANDIS-II forest model using a pattern search algorithm to identify parameter combinations that yield predicted growth consistent with national forest inventory field measurement data. Kasey Legaard University of Maine Center for Research on Sustainable Forests Geological and Earth Sciences https://osg-htc.org/iid/jxj9y1j53ii6 03.0101 384667780 UMaine_Vel Study the nonlinear elastic behavior of nanomaterials using a polynomial based constitutive equation to model the behavior of the materials. Senthil S. Vel University of Maine Mechanical Engineering Materials Science 14 OSG Connect https://osg-htc.org/iid/jxj9y1j53ii6 40.1001 1059539407 UMassAmherst_Chen Our project is to prove the non-existence of symplectic curves with specific numbers and types of cusps in the two dimensional complex projective plane. The method we are using involves writing the configuration of the blow-up of the curve in a certain reduced basis of the second homology group, and then eliminating these possibilities using further constraints. If we are successful this project could further elucidate the differences between the symplectic category and the category of algebraic geometry. Weimen Chen University of Massachusetts Amherst Mathematics Mathematical Sciences https://osg-htc.org/iid/sqj1fi5b7fdj 27.0101 109706086 UMassAmherst_Lin Quantum mechanical and machine learning modeling of chemical reactions in complex systems, including heterogeneous catalysis, molecular spectroscopy, and flexible optoeletronics. https://elements.chem.umass.edu/zlinqcgroup/ Zhou Lin University of Massachusetts Amherst Chemistry Chemistry https://osg-htc.org/iid/sqj1fi5b7fdj 40.0511b 694 UMassAmherst_Sloutsky Evolutionary reconstructions and molecular simulations of extant and ancestral proteins. Roman Sloutsky University of Massachusetts Amherst Biochemistry and Molecular Biology Biological Sciences 14 OSG Connect https://osg-htc.org/iid/sqj1fi5b7fdj 26 861526316 UMassAmherst_VanHorn Fine-grained visual classification has blossomed under the advances in large-scale image datasets like iNaturalist as well as algorithmic contributions like ResNet, ViT, Vision-Language Models (VLMs) like CLIP, and Multimodal Large Language Models (MLLMs). However, VLMs and MLLMs have garnered increased interest in FGVC due to the surprising fact that underperform more classical, simpler, and smaller approaches. We currently are investigating the root causes and solutions for this underperformance, focusing on making sure that VLM/MLLM responses are visually-grounded (eg. fine-tuningt), figuring out more faithful ways to evaluate their responses (evaluation procedures and benchmarks), and being able to steer predictions with expert knowledge (Visipedia). Grant Van Horn University of Massachusetts Amherst Computer Science Computer Science https://osg-htc.org/iid/sqj1fi5b7fdj 11.0102 1215969804 UMassLowell_Delhommelle Unraveling Crystallization and Phase Transition Processes through Topology, Rare-Event Simulations, and Machine Learning Jerome Delhommelle University of Massachusetts Lowell Chemistry Physical Chemistry 14 OSG Connect https://osg-htc.org/iid/w36omfloyrj2 40.0506 2064420708 UMassLowell_Laycock Understanding the accretion and Stellar wind interaction in Black hole+massive star binary system. Silas G. T. Laycock University of Massachusetts Lowell Department Of Physics Astronomy and Astrophysics 14 OSG Connect https://osg-htc.org/iid/w36omfloyrj2 40.0202 1727904597 UMassMed_Thyme Understand and develop drug treatments for intellectual disability. Summer Thyme University of Massachusetts Chan Medical School Biochemistry & Molecular Biotechnology Biological and Biomedical Sciences https://osg-htc.org/iid/l8q9eydt487e 51.2003 757245166 UMiami_McLaughlin Our overall goal is to better estimate US southeast Atlantic red snapper (Lutjanus campechanus) population size. Our current goal is to do so by incorporating close-kin mark-recapture (CKMR) data into a red snapper stock assessment model. We are in the process of running a simulation study to investigate how much improvements in parameter estimation can be achieved from including the CKMR data in the stock assessment model. Paul McLaughlin University of Miami Cooperative Institute for Marine & Atmospheric Studies Ocean Sciences https://osg-htc.org/iid/fi0s90nsnatu 30.3201b 4 UMich To use a systems biology approach to directly and significantly impact our understanding and treatment of tuberculosis. Paul Wolberg University of Michigan Microbiology and Immunology Microbiology 30 OSG https://osg-htc.org/iid/4ocf9kvq30fn 26.05 1495914332 UMiss_Bennett In the decay of Xi_c baryon to lambda kaon pion, I am performing a likelihood fitting to extract the coupling to each potential resonance. Jake Bennett University of Mississippi Physics and Astronomy Physics and astronomy https://osg-htc.org/iid/bigpgrrmxblz 40.0804 2039215356 UMiss_Gupta Determining the capabilities of next-generation gravitational wave detectors in constraining cosmological parameters. Anuradha Gupta University of Mississippi LIGO Astronomy and Astrophysics https://osg-htc.org/iid/bigpgrrmxblz 40.0202 839 UMiss_Stein Numerical Relativity and Gravitational-wave physics Leo Stein University of Mississippi Physics and Astronomy Physics 14 OSG Connect https://osg-htc.org/iid/bigpgrrmxblz 40.08 92777637 UMissouri_Nada Running segmentation of 100 subjects through Freesurfer. Comparing the volumetric measurements of the midbrain between the disease group (PS) and control group. PSP is a movement disorder characterized by atrophy of the midbrain. We investigate quantification of the midbrain volume to early predict the disease. Ayman Nada University of Missouri Radiology Department Medical Sciences 14 OSG Connect https://osg-htc.org/iid/dohu2f6ba08u 26.0102 807195832 UMontana_Hansen Study the structure, function, and pharmacology of ligand-gated ion channels. We are interested in running virtual screenings to identify novel ligands with therapeutic potential in brain disorders. Se more at https://hansen-neurolab.com/ Kasper Hansen University of Montana Division of Biological Sciences Biological and Biomedical Sciences https://osg-htc.org/iid/sdmbw89obfoi 26.9999 1749364515 UMontana_Roy 1) Virtual screening - Computational or virtual screening of molecules can accelerate drug development programs. We have developed a virtual screening method to screen billions of molecules for hit generation against specific protein targets. We want to develop the method further and also want to use the method to develop hits against specific proteins, such as the one announced in this competition. https://cache-challenge.org/ 2) Entropy from surface properties - Calculating entropy is tricky, as, in principle, it requires sampling vast phase space to count all available microstates. We are developing a method for calculating the entropy of small molecules from their surface properties. Such a method will benefit computational chemistry, especially the virtual screening community. https://www.biorxiv.org/content/10.1101/2021.05.26.445640v1.abstract 3) Transferability of polygenic risk scores (PRS) - PRS is a useful tool to estimate one's health condition propensity from their genetic makeup. Historically, most of the PRS models were built from European ancestry samples. We are working on a network model to identify the best way to transfer a PRS model from the population it was developed for to another population not included in the study. Amitava Roy University of Montana Department of Biomedical and Pharmaceutical Sciences Biological and Biomedical Sciences https://osg-htc.org/iid/sdmbw89obfoi 26.1199 397336158 UMontana_Wheeler Develop software for computational genomics and drug discovery, and apply that software at scale – http://wheelerlab.org Travis Wheeler University of Montana Computer Science department Biological and Biomedical Sciences 14 OSG Connect https://osg-htc.org/iid/sdmbw89obfoi 26 32 UNC-RESOLVE-photometry Astronomy image manipulation David Stark UNC Chapel Hill Department of Physics and Astronomy Physics and astronomy 30 OSG https://osg-htc.org/iid/nhz3r9d0308l 40.1101 897906582 UNCCharlotte_Tang In this project, we propose to develop a spatially explicit network modeling framework and software package (DeepPipe) based on deep learning, a state-of-the-art artificial intelligence approach, for automated characterization and anomaly detection of NCDOT’s existing underground storm drainage pipe network. Wenwu Tang University of North Carolina at Charlotte Department of Earth, Environmental, and Geographical Sciences Geographic Information Science https://osg-htc.org/iid/zehhuc2wlzf7 45.0702 47763907 UNCW_Dogan Medical Question Answering https://medvidqa.github.io Gulustan Dogan University of North Carolina Wilmington Computer Science Computer Science https://osg-htc.org/iid/14m1189m446l 11.0102 2083273967 UNC_2023_Mandal Anirban Mandal University of North Carolina at Chapel Hill Renaissance Computing Institute Computer and Information Science and Engineering https://osg-htc.org/iid/nhz3r9d0308l 11.0101 75100089 UNC_Boyle The goal of this project is to generate light curves from the TESS space telescope for every bright star (TESS magnitude < 16) within 500 pc of Earth. I will use these light curves to measure stellar rotation periods for as many of these stars as possible. By measuring stellar rotation periods, I can identify young stars close to Earth, find new groups of young stars, and create a list of young stars around which to search for planets. Andrew Boyle University of North Carolina at Chapel Hill Department of Physics and Astronomy Astronomy and Astrophysics https://osg-htc.org/iid/nhz3r9d0308l 40.0299 709 UNC_Drut Computational Quantum Matter at Finite Temperature Joaquin Drut University of North Carolina at Chapel Hill Department of Physics and Astronomy Physics 14 OSG Connect https://osg-htc.org/iid/nhz3r9d0308l 40.08 704454775 UNC_Johri We aim to infer evolutionary parameters using a simulation-based approach. Specifically, we are interested in obtaining the distribution of beneficial fitness effects, which characterizes the frequency and magnitude of advantageous mutations. Link to lab research page: https://www.johrilab.org/research Parul Johri University of North Carolina at Chapel Hill Biology/Genetics Bioinformatics https://osg-htc.org/iid/nhz3r9d0308l 26.1103 1417909615 UNC_Xiao In the wild, animal groups such as fish schools and sheep herds exhibit collective motion behavior during foraging, predator evasion and migration. The mechanism for how individual sensory input is propagated through the modular groups to result in emergent behavior is elusive. We use a 2D self-propelled particle model that incorporates animal-like topological social alignment interaction as well as informed individuals with access to environmental cues. We investigate the effect of the self-organized cluster structure on how informed individuals transmit information. We aim to determine the order of phase transition in global polarization and local structure, as informedness permeates the group. Yufei Xiao University of North Carolina at Chapel Hill Biology Biological Sciences https://osg-htc.org/iid/nhz3r9d0308l 26.0101 1272082860 UND_Delhommelle Unraveling Crystallization and Phase Transition Processes through Topology, Rare-Event Simulations, and Machine Learning Jerome Delhommelle University of North Dakota Chemistry Physical Chemistry 14 OSG Connect https://osg-htc.org/iid/mxii12n9x22s 40.0506 1295635998 UNESP_Ballen An evolutionary biologist interested in the development and implementation of quantitative methods for studying the interrelationships among living organisms. I use integrative methods in the intersection among neontology, palaeontolgy, statistical inference, phylogenetics, and bioinformatics. Gustavo Ballen Universidade Estadual Paulista (Unesp) Departamento de Morfologia Evolutionary Biology https://osg-htc.org/iid/pexc47w1nwwe 26.1303 381 UNH-IMD We are interested in developing new quantum chemistry methods and chemical structure optimization algorithms to design green heterogeneous catalysts. Dequan Xiao University of New Haven Chemistry Chemistry 14 OSG Connect https://osg-htc.org/iid/7b1hagvpg2j1 40.05 180924149 UNI_Staff Will be using OSPool to evaluate and develop training for UNI users. Wesley Jones University of Northern Iowa Information Technology, Network & Infrastructure Services Training https://osg-htc.org/iid/940o5v3ne7m0 30.3001 949458008 UNLV_Han Alternative promoter usage is a major mechanism that generates transcripts that vary between tissues and cell types, and contributes to cell differentiation and organ development. Detecting alternative promoter usage usually requires data generated from specialized protocols, such as Cap-analysis gene expression (CAGE), and hence there is less data to study promoter-level regulation. We propose to build a deep learning model that can predict alternative promoter usage based on standard RNA-seq data, instead of CAGE. Mira Han University of Nevada, Las Vegas School of Life Sciences Biological and Biomedical Sciences https://osg-htc.org/iid/izt1daewl286 26.9999 190972221 UNL_2024_Tsymbal Evgeny Tsymbal University of Nebraska\u2013Lincoln Physics and Astronomy Materials Science https://osg-htc.org/iid/q9k1b8dfrw25 14.1801b 1209011421 UNL_Bavarian Computational ML for polymerization reaction engineering, electrochemical systems mathematical modeling, lithography materials product and process development and control, and process simulation and optimization of separation processes. Mona Bavarian University of Nebraska–Lincoln Chemical and Biomolecular Engineering Chemical Engineering https://osg-htc.org/iid/q9k1b8dfrw25 14.0701 841 UNL_Cui Understanding complex biological systems, e.g. human diseases such as obesity and cancer, through data integration, computational modeling and knowledge discovery, to systematically understand the alterations of cells and organisms in response to environmental stimuli, and to elucidate the molecular interaction network involved in complex biological processes. Juan Cui University of Nebraska - Lincoln Biological Sciences Biological Sciences 14 OSG Connect https://osg-htc.org/iid/q9k1b8dfrw25 26 728 UNL_Fuchs X-ray generation and characterization via Laser Wakefield Acceleration Matthias Fuchs University of Nebraska\u2013Lincoln Physics and Astronomy Physics 14 OSG Connect https://osg-htc.org/iid/q9k1b8dfrw25 40.08 1267980677 UNL_Hebets Assess spider web structure by training and tracking models using SLEAP Eileen Hebets University of Nebraska\u2013Lincoln Biological Sciences Biological Sciences https://osg-htc.org/iid/q9k1b8dfrw25 26.0101 727 UNL_Howard Dimension Reduction Strategies for Genomic Prediction Reka Howard University of Nebraska\u2013Lincoln Statistics Mathematics and Statistics 14 OSG Connect https://osg-htc.org/iid/q9k1b8dfrw25 26.1103 1400151122 UNL_Mukhopadhyay We do research in Statistics, especially in statistical genetics/genomics and multi-omic data analysis along with statistical and machine learning-based analysis in other problems. Indranil Mukhopadhyay University of Nebraska–Lincoln Statistics Statistics https://osg-htc.org/iid/q9k1b8dfrw25 27.0601 1915351942 UNL_Ramamurthy Research on optimizing large data transfers for science experiments Byrav Ramamurthy University of Nebraska\u2013Lincoln School of Computing Computer and Information Services https://osg-htc.org/iid/q9k1b8dfrw25 11.0199 1560635219 UNL_Saha Protein Structural Predictions and Informatics. Rajib Saha University of Nebraska - Lincoln Department of Chemical and Biomolecular Engineering Chemical Engineering https://osg-htc.org/iid/q9k1b8dfrw25 14.0701 838 UNL_Stolle MWRSF High Speed Computing Cody Stolle University of Nebraska - Lincoln Mechanical & Materials Engineering Engineering 14 OSG Connect https://osg-htc.org/iid/q9k1b8dfrw25 14 306842558 UNL_Turner Working with ultrasonic wave propagation in polycrystalline materials. Website: https://engineering.unl.edu/quisp/ Joseph Turner University of Nebraska - Lincoln Mechanical and Materials Engineering Engineering https://osg-htc.org/iid/q9k1b8dfrw25 14.1901 1116387884 UNL_Weitzel Cyberinfrastructure Research Derek Weitzel University of Nebraska\u2013Lincoln Computer Science and Engineering Computer Science 14 OSG Connect https://osg-htc.org/iid/q9k1b8dfrw25 11.07 837 UNL_Yang Mediation analysis of agronomic traits in maize Jinliang Yang University of Nebraska - Lincoln Agronomy and Horticulture Agricultural Sciences 14 OSG Connect https://osg-htc.org/iid/q9k1b8dfrw25 01 403101818 UNL_Yin Our lab is a Bioinformatics and Computational Biology Lab. We have the following major research interests:1. Plant and microbial bioinformatics 2. Genome biology and evolutionary genomics 3. Carbohydrate metabolism and secondary metabolism Yanbin Yin University of Nebraska - Lincoln Food Science and Technology Biological and Biomedical Sciences https://osg-htc.org/iid/q9k1b8dfrw25 26.9999 840 UNL_Zhang Designing statistically rigorous and physically sound models to integrate genome sequences, expression profiles, molecular interactions, and protein structures Chi Zhang University of Nebraska - Lincoln Biological Sciences Biological Sciences 14 OSG Connect https://osg-htc.org/iid/q9k1b8dfrw25 26 396 UNLbcrf The Bioinformatics Core Research Facility at UNL runs several large scale compute projects a year. Our main compute is focused on sequence analysis, de-novo assembly and gene prediction/annotation, secondary structure prediction, peptide-protein docking, and phenotype image analysis. We tend to run projects that deal with species critical for agriculture, both crops and livestock, but also with human-virus or food-gut microbiome interactions. Jean-Jack M. Riethoven University of Nebraska\u2013Lincoln Center for Biotechnology Bioinformatics 14 OSG Connect https://osg-htc.org/iid/q9k1b8dfrw25 26.1103 2074682382 UNM_Dadashi My research investigates the mechanisms of rapid and sustained evolution of polygenic traits in response to directionally shifting and temporally varying environmental selection. Andisheh Dadashi University of New Mexico Mathematics, Engineering, and Computer Science Division Biological and Biomedical Sciences https://osg-htc.org/iid/pclpz1bwbpdi 26.9999 1610528445 UNM_Gulisija Develop theoretical models, statistical approaches, and computer simulations to elucidate mechanisms of rapid genetic adaptation to environmental change, such as due to global climate change or habitat invasions. Davorka Gulisija University of New Mexico Department of Biology Biological and Biomedical Sciences 14 OSG Connect https://osg-htc.org/iid/pclpz1bwbpdi 26.0806 725 UNOmaha_Chase Training neural networks to track animal movement Bruce Chase University of Nebraska Omaha Psychology Biological Sciences 14 OSG Connect https://osg-htc.org/iid/fg2dv7fu4myy 26 922683276 UOregon_Melgar Conducting earthquake simulations as part of a larger collaboration (https://github.com/Marcus-Adair/Accelerating-Data-Intensive-Seismic-Research-Through-Parallel-Workflow-Optimization-and-Federated-CI). Planning to eventually run some ML for graph neural network GNSS denoising." Diego Melgar University of Oregon Cascadia Region Earthquake Science Center Geological and Earth Sciences https://osg-htc.org/iid/7j4ogzyjflij 40.0603 761755652 UOregon_Shende The project will evaluate the feasibility of using Singularity containers from the Extreme-scale Scientific Software Stack (E4S)[https://e4s.io] in the Open Science Grid to support HPC and AI/ML workflows. E4S includes support for 100+ HPC products (e.g., TAU, Trilinos, PETSc, OpenMPI, MPICH, Kokkos, HDF5) and AI/ML products (e.g., TensorFlow, PyTorch) optimized for GPUs from three vendors (Intel, AMD, and NVIDIA). It supports LLVM compilers, vendor compilers (NVHPC, oneAPI, ROCm hipcc), on multiple architectures (including x86_64, ppc64le, and aarch64). Sameer Shende University of Oregon Performance Research Laboratory, Oregon Advanced Computing Institute for Science and Society (OACISS) Computer and Information Services 14 OSG Connect https://osg-htc.org/iid/7j4ogzyjflij 11.0199 467 UPCDOSAR Researchers from UNAL will be using OSG and running example jobs on Monte Carlo simulations, they will be submitting jobs related to bit patterned media, following this work http://www.sciencedirect.com/science/article/pii/S1386947715303222, and will also be submitting jobs related to research in critical phenomena, similar to what was done here: http://www.sciencedirect.com/science/article/pii/S0304885316324933?via%3Dihub and here http://www.sciencedirect.com/science/article/pii/S0304885316320169?via%3Dihub Rob Quick Indiana University Research Technologies Computational Condensed Matter Physics 14 OSG Connect https://osg-htc.org/iid/uws6kivcttuc 40.0808 2083162629 UPRM_Ramos At present we are conducting molecular dynamics simulations to study the interaction of peptides and membranes. We are aiming at understanding the mechanisms (mechanical and/or electroestatic) that are involved in the formation of pores in membranes. In order to study these systems we are performing molecular dynamics simulations with NAMD and different force fields like charmm to simulate the formation of the pores. Rafael A. Ramos University of Puerto Rico - Mayaguez Department of Physics   Physics 14 OSG Connect https://osg-htc.org/iid/43gwnkrodhv9 40.0804 42 UPRRP-MR In this collaborative project between bioinformatics and physics we use molecular evolution simulations to evolve a population of proteins. We look for the emergence of mutational robustness of proteins in the population. This quantity measures how resistant they are to the deleterious effects of mutations. Previous results from Dr. Massey's group suggest that mutational robustness increases and eventually converges over time. This appears to be an emergent property of proteins. It has profound evolutionary implications. The protein structures are obtained from the Protein Data Bank. Non-robust sequences are threaded onto the structure and are subjected to random mutations. The resulting sequences are selected for their free energy of folding. Once the sequences are generated the mutational robustness is calculated in parallel (through Condor). Steven Massey Universidad de Puerto Rico, Rio Piedras Campus (UPRRP) Physics / Biology Bioinformatics 30 OSG https://osg-htc.org/iid/b1qdmhgy40ul 26.1103 765 UPenn_Ramdas Identifying causal Mendelian genes for neurodevelopmental disorders using singletons Shweta Ramdas University of Pennsylvania Genetics Health 14 OSG Connect https://osg-htc.org/iid/nv2rjrft01gg 51 1970554877 USC_CARC USC Center for Advanced Research Computing Facilitators BD Kim University of Southern California Center for Advanced Research Computing Computer Science 14 OSG Connect https://osg-htc.org/iid/6edduwj65dlr 11.07 690 USC_Deelman Pegasus workflow management system - development and testing Ewa Deelman University of Southern California Information Sciences Institute Computer and Information Science and Engineering 9 ISI https://osg-htc.org/iid/6edduwj65dlr 11.0701b 854055598 USC_Rahbari The present project aims at developing a multi-fidelity platform for uncertainty quantification of the air flow simulations over a common aerodynamic object. Thousands of low-fidelity, yet fast, simulations are required to construct the basis of this platform. Iman Rahbari University of Southern California Center for Advanced Research Computing Mechanical Engineering 14 OSG Connect https://osg-htc.org/iid/6edduwj65dlr 14.1901 944567874 USDA_Andorf The research is part of the Maize Genetics and Genomics Database (MaizeGD) to utilize protein structure models to improve maize functional genomics. The project will generate new protein structure models to improve functional classification, canonical isoform detection, gene structure annotation, and assigning confidence scores to point mutations based on the likelihood to change function. Carson Andorf United States Department of Agriculture Midwest Area, Corn Insects, and Crop Genetics Research Unit Biological and Biomedical Sciences https://osg-htc.org/iid/qtdq2vohbire 26 494188212 USD_PHYS733 A course on Elementary Particle and Nuclear Physics at the University of South Dakota Jing Liu University of South Dakota Physics Elementary Particles 14 OSG Connect https://osg-htc.org/iid/it45nx81xgfl 40.0804 714 USD_RCG Supporting and enabling research at the University of South Dakota. Ryan Johnson University of South Dakota Information Technology Services Computer and Information Sciences 14 OSG Connect https://osg-htc.org/iid/it45nx81xgfl 11 849 USU_Kaundal Biological data is accumulating faster than people’s capacity to analyze them. Our research interests and goals revolve around mitigating this issue in the context of “information to inference” scope. At USU, Dr. Kaundal has developed an independent and collaborative research program in bioinformatics, primarily focusing on computational mining of large multi-dimensional -omics datasets, and computational modeling using supervised (Machine Learning) and unsupervised (Bayesian-based) learning. Our group is actively developing novel tools and software to apply the gained knowledge towards organismal improvement. Research in KAABiL laboratory generally falls under the following major program objectives: http://bioinfo.usu.edu/research Rakesh Kaundal Utah State University Bioinformatics Biological Sciences 14 OSG Connect https://osg-htc.org/iid/xjsosxnj8jij 26.1104 823 USheffield_DUNE The Deep Underground Neutrino Experiment is an international flagship experiment to unlock the mysteries of neutrinos. Stefan Söldner-Rembold University of Sheffield Physics and Astronomy Physics 14 OSG Connect https://osg-htc.org/iid/o55quyiox0t3 40.08 1060226383 UTA_Cuntz python simulations that test stability and the orbital dynamics of multi body systems Manfred Cuntz University of Texas at Arlington Physics Astronomy and Astrophysics 14 OSG Connect https://osg-htc.org/iid/fcm0rnxmtcor 40.0202 917665949 UTA_Gerring Research on robustness and sensitivity analysis in social science. Monte Carlo simulations to assess the properties of statistical methods under different plausible data-generating processes. Multi-model analyses of alternative model specifications. John Gerring The University of Texas at Austin Political Science and Government Statistics https://osg-htc.org/iid/6z0d22dz19io 45.1001 1551414332 UTA_Goplerud I create new methods to facilitate political science research by leveraging the intersection of Bayesian methods and machine learning. My papers create new methods to tackle a variety of common problems (heterogeneous effects, hierarchical models, ideal point estimation) where existing methods have limitations that constrain substantive researchers. My existing papers can be found on my website https://mgoplerud.com/ as well as on pre-print servers such as arxiv. Max Goplerud University of Texas at Austin Department of Government Statistics https://osg-htc.org/iid/6z0d22dz19io 27.0599b 647811416 UTA_Jones works on the NEXT neutrinoless double beta decay experiment: https://next.ific.uv.es/next/ which is an international collaboration. The experiment is trying to determine if the neutrino is its own anti-particle. Ben Jones University of Texas at Arlington Physics Physics https://osg-htc.org/iid/fcm0rnxmtcor 40.0806 854115677 UTAustin_Auslen This research is focused on public opinion estimation in subnational geographies (e.g., states, cities, legislative districts), which frequently requires testing a high volume of models. Among these projects are ongoing work on estimating state-level public opinion from cluster-sampled historical surveys (e.g., https://osf.io/preprints/socarxiv/gmyjh); estimating joint distributions of public opinion across multiple "questions"; and estimating public opinion at the state legislative district level. Michael Auslen University of Texas at Austin Department of Government Geographic Information Science https://osg-htc.org/iid/6z0d22dz19io 45.1001 68661170 UTAustin_Shoemaker Gravitational wave work for current and future gravitational wave detectors Deirdre Shoemaker University of Texas at Austin Physics Astronomy and Astrophysics 14 OSG Connect https://osg-htc.org/iid/6z0d22dz19io 40.0202 776 UTAustin_Zimmerman Gravitational waves and black holes Aaron Zimmerman University of Texas at Austin Physics Gravitational Physics 14 OSG Connect Other CHTC-XD-SUBMIT UChicago_OSGConnect_login04 UChicago_OSGConnect_login05 TACC-Stampede2 GravSearches https://osg-htc.org/iid/6z0d22dz19io 40.08 1439733255 UTD_Mohapatra Contributor to MsPASS domain-specific package for seismologists. (https://www.mspass.org/getting_started/introduction.html) Sasmita Mohapatra University of Texas at Dallas Cyberinfrastructure Research Computing Geological and Earth Sciences https://osg-htc.org/iid/eouhp4r1y2e2 40.0699 2110663488 UTEP_DeBlasio Our group studies how to improve science by automating and optimizing the tools used by domain scientists. We do this primarily by making input specific parameter value choices which help to reduce false information introduced by using less than ideal (or default) parameter choice. The focus of the work performed here will be on data acquisition for the machine learning processes needed to further develop these methods used for making such choices for multiple sequence alignment applications. https://deblasiolab.org/ Dan DeBlasio University of Texas at El Paso Department of Computer Science Computer and Information Sciences 14 OSG Connect https://osg-htc.org/iid/kkigje11ak58 11 1342269514 UTEP_Moore We are developing portable containers for deep-learning frameworks and applications Shirley Moore University of Texas at El Paso Computer Science Computer and Information Services https://osg-htc.org/iid/kkigje11ak58 11.0101 874080140 UTHealthHouston_Proctor We study the ecology and evolution of fungi within the human microbiome. We use genomics approaches ranging from amplicon sequencing to shotgun metagenomics and whole genome sequencing. https://dmap02.github.io/proctor-lab-website/index.html Diana Proctor The University of Texas Health Science Center at Houston Microbiology and Molecular Genetics Microbiology https://osg-htc.org/iid/xg5xnj0cv1lf 26.0502 762921002 UTHealthSA_Pervez Help researchers at UT Health San Antonio get access to OSG. They have multiple workloads. Jaynal Pervez The University of Texas Health Science Center at San Antonio Information Technology Computer and Information Services https://osg-htc.org/iid/omcgx06d6utz 11.1099 1407748521 UTK_Luettgau Piloting the National Science Data Fabric, A Platform Agnostic Testbed for Democratizing Data Delivery Jakob Luettgau University of Tennessee, Knoxville Electrical Engineering & Computer Science Computer and Information Science and Engineering 14 OSG Connect https://osg-htc.org/iid/hp8930spi37u 11 1585206027 UTSA_Anantua I am using Monte Carlo ray-tracing code GRMONTY to create and compare two different emission models R-Beta and Critical-Beta of M87 and Sgr A*. https://richardanantua.com/spectra/ Richard Anantua The University of Texas at San Antonio Department of Physics and Astronomy Astronomy and Astrophysics https://osg-htc.org/iid/2cop1xndpdtp 40.0202 1711642752 UTSouthwestern_Lin Access the molecular organization and fluctuations of the condensate with atomistic simulations Milo Lin University of Texas Southwestern Medical Center Department of Biophysics Biological and Biomedical Sciences 14 OSG Connect https://osg-htc.org/iid/26ns7uva5t0a 26 94722749 UToledo_2023_Gupta Anju Gupta University of Toledo Mechanical, Industrial and Manufacturing Engineering Engineering https://osg-htc.org/iid/f697s61oo78e 14.3501 757518929 UToledo_Guo This study investigates the contribution of secondary neutrons generated when therapeutic proton beams interact with metal implants such as hip prostheses, spinal rods, and surgical clips. Using Monte Carlo simulations and experimental validation, it quantifies neutron spectra and dose equivalents to patients and surrounding environments under different beam delivery techniques. The findings aim to guide clinical planning and propose mitigation strategies to minimize neutron-related risks in proton therapy. Kaiming Guo University of Toledo Radiation Oncology Biochemistry https://osg-htc.org/iid/f697s61oo78e 26.0210 843 UTulsa_Booth Research within the lab focuses on evolutionary biology, molecular ecology, and population genetics. Broadly our interests fall into two categories: the evolutionary forces driving population differentiation and dynamics within mosaic landscapes, and the evolution and ecological significance of alternative reproductive strategies. We investigate these in a variety of systems, including mammals, reptiles, amphibians, and insects, and address them using high resolution molecular markers. Much of this work is in collaboration with other researchers, maximizing the resources and expertise available to a given question. Warren Booth University of Tulsa Biological Sciences Biological Sciences 14 OSG Connect https://osg-htc.org/iid/to441mldveew 26 855734349 UWLaCrosse_Petullo We are interested in high-performance computing, system software, and cybersecurity. We aim to learn the use of HTCondor and OSPool as we work towards obtaining funding for additional infrastructure. We are particularly interested in learning how to contribute compute resources to OSPool. W. Michael Petullo University of Wisconsin-La Crosse Department of Computer Science & Computer Engineering Computer and Information Services https://osg-htc.org/iid/dwilwle5aapv 11.0101 1405068731 UWMadison_2023_Lee Yong Jae Lee University of Wisconsin–Madison Computer Sciences Computer and Information Science and Engineering https://osg-htc.org/iid/fq8thqsj99zh 11.0101 277767432 UWMadison_2023_Wright Daniel Wright University of Wisconsin–Madison Civil and Environmental Engineering Civil Engineering https://osg-htc.org/iid/fq8thqsj99zh 14.0801 2011936898 UWMadison_Agronomy_Khangura The research program focuses on genetic and molecular understanding of agronomically relevant traits in cereal crops, especially maize, sorghum, and wheat. Current research interests in the lab include projects aimed at enhancing molecular understanding of variants influencing plant architecture, development, immunity, and their interactions. Uses Mendelian genetics, population genetics, molecular biology, and omics tools to explore a range of plant phenotypes. Rajdeep Khangura University of Wisconsin–Madison Plant and Agroecosystem Sciences Plant Biology https://osg-htc.org/iid/fq8thqsj99zh 26.0805 48956063 UWMadison_Banks Our project utilizes an fMRI regularization penalty to sparsify large-scale (up to 216 channels) MVAR models fitted to EEG brain data. Through sparsification of these models, we can do a better job of capturing brain connectivity with only a small amount of training data. Matthew Banks University of Wisconsin–Madison Anesthesiology Electrical, Electronic, and Communications Engineering 14 OSG Connect https://osg-htc.org/iid/fq8thqsj99zh 14.1 822 UWMadison_Bechtol Searching for Dark Energy evidence via gravitational double-lens effects in massive astronomical objects Keith Bechtol University of Wisconsin–Madison Physics Astronomy 14 OSG Connect https://osg-htc.org/iid/fq8thqsj99zh 40.0201 707022063 UWMadison_Biochem_WaymentSteele My research seeks a quantitative and predictive understanding of biomolecular dynamics, and a deeper understanding of how evolution shapes dynamics and function. Hannah Wayment-Steele University of Wisconsin–Madison Biochemistry Biochemistry https://osg-htc.org/iid/fq8thqsj99zh 26.0205 167219735 UWMadison_CBE_Paulson Use AI and machine learning techniques to make algorithms that improve predictive models and process optimization. Work involves Bayesian optimization, scientific machine learning, sustainable process systems engineering, and model predictive control. Joel Paulson University of Wisconsin–Madison Department of Chemical and Biological Engineering Chemical Engineering https://osg-htc.org/iid/fq8thqsj99zh 14.0702 222543289 UWMadison_CHTCFellows Project for summer fellows at CHTC Brian Bockelman University of Wisconsin–Madison Computer Sciences Computer and Information Science and Engineering https://osg-htc.org/iid/fq8thqsj99zh 11.0101 337666118 UWMadison_CHTCFellowship_2024 Project for summer fellows at CHTC Brian Bockelman University of Wisconsin–Madison Computer Sciences Computer and Information Science and Engineering https://osg-htc.org/iid/fq8thqsj99zh 11.0101 1902741875 UWMadison_Chemistry_Wang Protein Engineering, Protein Folding, Directed Evolution Tina Wang University of Wisconsin–Madison Chemistry Biochemistry https://osg-htc.org/iid/fq8thqsj99zh 26.0210 689540769 UWMadison_Chen Quantifing future forest productivity change and its impact on global land use and land cover change under global climate change. Min Chen University of Wisconsin–Madison Department of Forest and Wildlife Ecology Agricultural Sciences 14 OSG Connect https://osg-htc.org/iid/fq8thqsj99zh 01 1957142731 UWMadison_ComparativeBio_Zhao The Zhao lab aims to understand cellular and molecular mechanisms underlying sexual differentiation of reproductive tracts. Fei Zhao University of Wisconsin–Madison Comparative Biosciences Cellular Biology https://osg-htc.org/iid/fq8thqsj99zh 26.0406 818 UWMadison_DeLeon Corn breeding and genetics Natalia de Leon University of Wisconsin–Madison Agronomy Agricultural Sciences 14 OSG Connect https://osg-htc.org/iid/fq8thqsj99zh 01 1850803092 UWMadison_DeWerd Simulations for radiation therapy applications Larry DeWerd University of Wisconsin–Madison Medical Physics Physics https://osg-htc.org/iid/fq8thqsj99zh 51.2205 819 UWMadison_Dopfer Real-Time Estimation and Forecasting of COVID-19 Cases and Hospitalizations Doerte Doepfer University of Wisconsin–Madison Medical Sciences Health 14 OSG Connect https://osg-htc.org/iid/fq8thqsj99zh 51 947832344 UWMadison_Feickert Exploring the intersection of experimental high energy physics and data science to develop the software infrastructure and AI/ML tooling necessary for physics analysis in the High-Luminosity Large Hadron Collider era as part of IRIS-HEP (https://iris-hep.org/) and the ATLAS collaboration. Matthew Feickert University of Wisconsin–Madison Data Science Institute Particle Physics https://osg-htc.org/iid/fq8thqsj99zh 40.0804 817 UWMadison_Fredrickson Intermetallic chemistry group interested in the origins of intergrowths Daniel Fredrickson University of Wisconsin–Madison Chemistry Chemistry 14 OSG Connect https://osg-htc.org/iid/fq8thqsj99zh 40.05 2051232663 UWMadison_Gitter https://www.biostat.wisc.edu/~gitter/ Anthony Gitter University of Wisconsin–Madison Biostatistics & Medical Informatics Health https://osg-htc.org/iid/fq8thqsj99zh 26.1104 1535932024 UWMadison_Gluck-Thaler Understanding the molecular mechanisms of pathogenicity of necrotrophic fungi. Emile Gluck-Thaler University of Wisconsin–Madison Plant Pathology Molecular and Structural Biosciences https://osg-htc.org/iid/fq8thqsj99zh 26.0803 599 UWMadison_Gutierrez Understanding crop exeriment design Lucia Gutierrez University of Wisconsin–Madison Agronomy Agronomy 14 OSG Connect https://osg-htc.org/iid/fq8thqsj99zh 01 1601748329 UWMadison_Hanna Training a Reinforcement Learning agents which will interact with a simulated environment collect data and make updates to a neural network. The neural networks trained in simulation would be deployed on a physical robot in our lab. Josiah Hanna University of Wisconsin–Madison Computer Science Computer Science https://osg-htc.org/iid/fq8thqsj99zh 11.0701 730 UWMadison_Kaplan Bayesian Methods for Education Research David Kaplan University of Wisconsin–Madison Educational Psychology Education 14 OSG Connect https://osg-htc.org/iid/fq8thqsj99zh 13 736658707 UWMadison_Katzfuss Spatial and spatio-temporal statistics, Gaussian processes, uncertainty quantification, and data assimilation Matthias Katzfuss University of Wisconsin–Madison Department of Statistics Statistics https://osg-htc.org/iid/fq8thqsj99zh 27.0601 815 UWMadison_Keles statistical genomics Sunduz Keles University of Wisconsin–Madison Biostatistics and Medical Informatics Mathematics 14 OSG Connect https://osg-htc.org/iid/fq8thqsj99zh 27.01 816 UWMadison_Keller Studying the genetic regulation and production of fungal secondary metabolites. Nancy Keller University of Wisconsin–Madison Medical Microbiology and Immunology Biological Sciences 14 OSG Connect https://osg-htc.org/iid/fq8thqsj99zh 26 674839994 UWMadison_Li Multiscale modeling, computational materials design, mechanics and physics of polymers, and machine learning-accelerated polymer design. Ying Li University of Wisconsin–Madison Mechanical Engineering Engineering https://osg-htc.org/iid/fq8thqsj99zh 14 658 UWMadison_McMillan Understanding structure of neural networks Alan McMillan University of Wisconsin–Madison Radiology Medical Imaging 14 OSG Connect https://osg-htc.org/iid/fq8thqsj99zh 51 1820610269 UWMadison_Negrut Chrono is a physics-based modelling and simulation infrastructure based on a platform-independent open-source design implemented in C++. Chrono is developed by the Negrut group; the goal is to make it available on the OSPool. Dan Negrut University of Wisconsin–Madison Mechanical Engineering Engineering 14 OSG Connect https://osg-htc.org/iid/fq8thqsj99zh 14 1681199985 UWMadison_Neuroscience_Rizvi My research group focuses on studying how patterns of gene regulation, at the level of single cells and spatially resolved, mediate homeostatic function within the central nervous system. We compare these results against neurodegenerative disease states, seeking to understand the molecular and cellular basis for dysfunction. Abbas Rizvi University of Wisconsin–Madison Neuroscience Neuroscience https://osg-htc.org/iid/fq8thqsj99zh 26.1501 942983926 UWMadison_OConnor The overarching goal of the O’Connor lab is to contribute meaningfully to the global response to viral infections impacting human health. David O'Connor University of Wisconsin–Madison Pathology and Laboratory Medicine Biological and Biomedical Sciences https://osg-htc.org/iid/fq8thqsj99zh 26.0999b 1316450779 UWMadison_ObGyn_Stanic-Kostic The Stanic lab is focused on deciphering the role of Innate Lymphoid cells and immune cellular networks in the architectural organization of the maternal/fetal interface. His research program is dedicated to unravelling the cellular networks underlying preeclampsia, intrauterine growth restriction, recurrent pregnancy loss and implantation failure in Assisted Reproductive Technologies. Our lab employs both human and mouse models of reproductive physiology and disease. We use genetic targeting of immune cell development and function to dissect their role in reproductive tissue organization and disease. We collaborate closely with biostatisticians and computer scientists to develop novel workflows for analysis of our high-dimensional flow cytometry data sets and model the reproductive immune cell networks. Aleksandar Stanic-Kostic University of Wisconsin–Madison Obstetrics and Gynecology Biomedical research https://osg-htc.org/iid/fq8thqsj99zh 26.0507 585 UWMadison_Parks Brian Parks University of Wisconsin–Madison Nutritional Science Nutritional Science 14 OSG Connect https://osg-htc.org/iid/fq8thqsj99zh 19.05 703 UWMadison_Paskewitz Training neural networks to classify images of ticks Susan Paskewitz University of Wisconsin–Madison Entomology Biological Sciences 14 OSG Connect https://osg-htc.org/iid/fq8thqsj99zh 26 1673984284 UWMadison_Payseur Work on understanding the origin of species and the evolution of recombination Bret Payseur University of Wisconsin–Madison Genetics Genomics https://osg-htc.org/iid/fq8thqsj99zh 26.0807 1734551058 UWMadison_Radiology_Yu The Yu lab is currently aligned along three major thematic and interrelated areas of interest: (1) examining the impact of genes, the environment, and gene-environment interactions on quantitative brain microstructure in neurocognitive and neuropsychiatric illness; (2) biological validation and clinical translation of methodological innovations in diffusion weighted MRI for accurate diagnosis and tracking therapeutic outcomes in patient care, clinical trials, and patient-oriented research; and (3) development of MR and PET neuroimaging methods for the sensitive detection and characterization of microglial-driven neuroinflammation and synaptic loss in neurologic and psychiatric disease. John-Paul Yu University of Wisconsin–Madison Radiology Medical Imaging https://osg-htc.org/iid/fq8thqsj99zh 51.0920 676 UWMadison_Rebel Project for Brian Rebel high energy physics group from UW-Madison Brian Rebel University of Wisconsin–Madison Physics Physics 14 OSG Connect https://osg-htc.org/iid/fq8thqsj99zh 40.08 1545894949 UWMadison_ReproML_Fall25 Scientific researchers need reproducible software environments for complex applications that can run across heterogeneous computing platforms. Modern open source tools, like Pixi, provide automatic reproducibility solutions for all dependencies while providing a high level interface well suited for researchers. This in-person workshop will provide a practical introduction to using Pixi to easily create computing environments for scientific and AI/ML workflows that benefit from hardware acceleration, across multiple machines and platforms. The focus will be on applications using Python machine learning libraries with CUDA enabled, as well as deploying these environments to production settings in Linux container images. This workshop will not teach machine learning concepts, but will focus on the methodologies and tools to make existing machine learning workflows reproducible. Matthew Feickert University of Wisconsin–Madison Data Science Institute Training https://osg-htc.org/iid/fq8thqsj99zh 30.7001 705 UWMadison_Rui Structure + behavior of genomes related to lymphoma Lixin Rui University of Wisconsin–Madison Medicine Health 14 OSG Connect https://osg-htc.org/iid/fq8thqsj99zh 51 1878244627 UWMadison_STAT605_2025Fall_Gillett Project for core statistics course in data science skills. John Gillette University of Wisconsin–Madison Statistics Statistics https://osg-htc.org/iid/fq8thqsj99zh 30.7001 702 UWMadison_Skala Using neural networks to segment microscope cell images Melissa Skala University of Wisconsin–Madison Medical Engineering Medical Imaging 14 OSG Connect https://osg-htc.org/iid/fq8thqsj99zh 51 1720904433 UWMadison_SoilEnvSci_Lu Processing geospatial and temporal data to understand ecosystem processes and land management. Chaoqun Lu University of Wisconsin–Madison Soil and Environmental Sciences Agronomy https://osg-htc.org/iid/fq8thqsj99zh 01.1201 565863889 UWMadison_Solis-Lemus Using machine learning methods to identify sounds from audio recordings in multiple regions of the world through time. Claudia Solis-Lemus University of Wisconsin–Madison Plant Pathology Biological Sciences https://osg-htc.org/iid/fq8thqsj99zh 26 3563503 UWMadison_Statistics_Katzfuss Research interests include computational spatial and spatio-temporal statistics, Gaussian processes, uncertainty quantification, and data assimilation, with applications to environmental and satellite remote-sensing data. Matthias Katzfuss University of Wisconsin–Madison Statistics Statistics https://osg-htc.org/iid/fq8thqsj99zh 27.0601 704 UWMadison_Tang Meta-analysis of microbiome studies Zhengzheng Tang University of Wisconsin–Madison Biostatistics and Medical Informatics Biostatistics 14 OSG Connect https://osg-htc.org/iid/fq8thqsj99zh 26.1102 1303771801 UWMadison_Travers Study of whole brain white matter development in autistic and non-autistic children Brittany Travers University of Wisconsin–Madison Waisman Center Neuroscience https://osg-htc.org/iid/fq8thqsj99zh 26.1501 631 UWMadison_Vavilov Research group of Maxim Vavilov Maxim Vavilov University of Wisconsin–Madison Physics Physics 14 OSG Connect https://osg-htc.org/iid/fq8thqsj99zh 40.08 1507309816 UWMadison_Waisman_Dean Fitting models to quantitative brain imaging to study human brain development. Doug Dean University of Wisconsin–Madison Pediatrics Neuroscience https://osg-htc.org/iid/fq8thqsj99zh 26.1501 702 UWMadison_Wei Economic modeling Shiyan Wei University of Wisconsin–Madison Economics Economics 14 OSG Connect https://osg-htc.org/iid/fq8thqsj99zh 45.06 2105275840 UWMadison_Weigel Animal breeding and Genomics Kent Weigel University of Wisconsin–Madison Animal and Dairy Sciences Genomics https://osg-htc.org/iid/fq8thqsj99zh 26.08 698 UWMadison_Wright Project for Daniel Wright's research group at UW-Madison Daniel Wright University of Wisconsin–Madison Civil and Environmental Engineering Civil Engineering 14 OSG Connect https://osg-htc.org/iid/fq8thqsj99zh 14.08 1560494622 UWMilwaukee_Yoon Developing new estimation methods for structural economic models. To evaluate the performance of the new method, Monte Carlo simulations are used to solve constrained minimization problems. The method is used for estimating empirical games and other structural models with strategic interactions. Jangsu Yoon University of Wisconsin-Milwaukee Department of Economics Economics https://osg-htc.org/iid/812rlsqwylrc 45.0601 664116810 UW_2023_Ban Xuegang Ban University of Washington Civil and Environmental Engineering Civil Engineering https://osg-htc.org/iid/8lpmoeouw66o 14.0801 1452800579 UW_Kukull Using machine learning approaches to understand Alzheimer's disease. Walter Kukull University of Washington Epidemiology Multidisciplinary https://osg-htc.org/iid/8lpmoeouw66o 26.1309 39353583 UW_Loverde The University of Washington Dark Universe Science Center brings experts in dark matter, dark energy, inflation, and gravity together with those who study how these invisible ingredients drive the evolution of the Universe along with the stars, black holes, and galaxies within it. By combining observations of the cosmos with direct measurements of the Universe’s invisible content, we hope to fundamentally change our understanding of Nature. (https://sites.google.com/uw.edu/dusc) Marilena Loverde University of Washington Physics Physics https://osg-htc.org/iid/8lpmoeouw66o 40.0202 644 UW_deKok NLP for business narratives Ties de Kok University of Washington Economics Economics 14 OSG Connect https://osg-htc.org/iid/8lpmoeouw66o 42 647 UserSchool2016 Training account for 2016 User School Christina Koch University of Wisconsin–Madison Computer Science Training 14 OSG Connect https://osg-htc.org/iid/fq8thqsj99zh 30.3001 751 Utah_Chipman Designing Adaptive Clinical Trials Jonathan Chipman University of Utah Population Health Sciences Biostatistics 14 OSG Connect https://osg-htc.org/iid/iwlonrroeaal 26.1102 1902734420 Utah_Nelson Monte Carlo research for the simulation of radiation transport for applications in medicine. Will be looking at proton therapy applications specifically using the Geant4 wrapper, TOPAS. Nicholas Nelson University of Utah Department of Radiation Oncology Physics and radiation therapy https://osg-htc.org/iid/iwlonrroeaal 26 375187130 Utah_Staff The CHPC is University of Utah's home for research computing and data. Martin Cuma University of Utah Center for High Performance Computing Computer and Information Services https://osg-htc.org/iid/iwlonrroeaal 30.3001 356 VERITAS VERITAS is an array of four imaging atmospheric Cherenkov telescopes to detect gamma-rays with energies above 100 GeV from astrophysical sources. This project produces Monte Carlo simulations of air showers and the detector response for VERITAS and other imaging Cherenkov telescope project Nepomuk Otte Georgia Institute of Technology School of Physics & Center for Relativistic Astrophysics Astrophysics 14 OSG Connect https://osg-htc.org/iid/uvf22j6xjbtv 40.0202 1183071664 VT_Riexinger Virginia Traffic Cameras for Advanced Safety Technologies (VTCAST) - analyzing driver behavior from one year of VA traffic camera video Luke Riexinger Virginia Tech University Biomedical Engineering and Mechanics Biomedical Engineering 14 OSG Connect https://osg-htc.org/iid/6oylis0t2x6u 14.0501 738 Vanderbilt_Gabella Numerical Relativity simulations of astronomical gravitational wave progenitor systems William Gabella Vanderbilt University Physics Physics 14 OSG Connect https://osg-htc.org/iid/7bgts07ydpxp 40.08 1514376691 Vanderbilt_Luzum The phenomenological study of relativistic heavy-ion collisions, using hydrodynamic simulations in conjunction with experimental data to extract properties of the Quark-Gluon Plasma and the structure of nuclei. Matthew Luzum Vanderbilt University Department of Physics and Astronomy Physics https://osg-htc.org/iid/7bgts07ydpxp 40.0801 642825052 Vanderbilt_Paquet study the quark-gluon plasma produced in collisions of nuclei. I perform relativistic hydrodynamic simulations of the collisions and study in particular the production of photons in the collisions. This is my Vanderbilt website: https://as.vanderbilt.edu/physics-astronomy/bio/jean-francois-paquet/ This is my professional website: https://j-f-paquet.github.io/ Jean-Francois Paquet Vanderbilt University Department of Physics & Astronomy Physics https://osg-htc.org/iid/7bgts07ydpxp 40.0806 592 Venda_Arrey A Bayesian Modelling approach to Vadose Zone Flow Ivo Arrey University of Venda Hydrology and Water Resourcews Geological and Earth Sciences 14 OSG Connect https://osg-htc.org/iid/8rl7p1o3czlh 40.06 157005651 Villanova_Grant Performing multi-object tracking on benchmarked datasets using Python libraries (opencv, numpy, sklearn, etc.) https://motchallenge.net Jason Grant Villanova University Computing Sciences Computer and Information Services https://osg-htc.org/iid/p5dkoevnrvt0 11.0101 768 Villanova_Staff Research Computing Staff at Villanova University Aaron P. Wemhoff Villanova University Mechanical Engineering Computer Sciences 14 OSG Connect https://osg-htc.org/iid/p5dkoevnrvt0 11.0701a 538 VolcanoTomography Volcano Tomography Using Cosmic Ray Muons David Martinez Caicedo South Dakota School of Mines and Technology Physics Physics 14 OSG Connect https://osg-htc.org/iid/k3rbyge3uinw 40.08 656 WCUPA_Ngo Emulating sensor data collection via the OSG Linh Ngo West Chester University of Pennsylvania Computer Sciences Computer Science 14 OSG Connect https://osg-htc.org/iid/osvmob55hi8c 11.07 430 WEST Phenotyping leaf epidermis by optical tomography and computer vision to evaluate stomatal patterning across natural diversity and transgenic lines of Sorghum and Setaria Dr. Andrew Leakey University of Illinois Urbana-Champaign Plant Biology Plant Biology 14 OSG Connect https://osg-htc.org/iid/10izzs5e7v1r 26.03 447256437 WM_DelVecchio Project involves linking existing cyberinfrastructure to task of scalable and reproducible analysis of Arctic landscapes and climate data (https://www.nsf.gov/awardsearch/showAward?AWD_ID=2311319). Part of a "Pathways" project for the National Discovery Cloud for Climate with the goal of linking up existing projects and infrastructure to enhance science projects like mine. Goals of this collaboration include accessing satellite and climate data stored on lab servers/AWS, efficient/distributed computation on those datasets, and hosting some sort of cached version of those datasets for quick access and analysis. Joanmarie Del Vecchio William & Mary Department of Geology Geological and Earth Sciences https://osg-htc.org/iid/1beyy0e3qcfu 40.0699 570 WSU_3DHydro (3+1)D Dynamical modeling of relativistic heavy-ion nuclear behavior Chun Shen Wayne State University Department of Physics and Astronomy Nuclear Physics 14 OSG Connect https://osg-htc.org/iid/d54pf46v5aqz 40.0806 562 WUSTL_Harris Effects of simulated interventions on joint loading in patients with bony hip pathologies Michael Harris Washington University in St. Louis School of Medicine Program in Physical Therapy Physical Therapy 14 OSG Connect https://osg-htc.org/iid/3d30s0gjz8yx 51.2308 42915845 Washington_Savage Quantum simulations of many-body systems for nuclear and high-energy physics (https://iqus.uw.edu). Martin J. Savage University of Washington IQuS, Department of Physics Physics 14 OSG Connect https://osg-htc.org/iid/8lpmoeouw66o 40.0806 667 WayneStateU_Majumder Jetscape heavy ion collision simulations Abhijit Majumder Wayne State University Physics Physics 14 OSG Connect https://osg-htc.org/iid/d54pf46v5aqz 40.0806 722 WayneStateU_Pique-Regi Cracking the gene regulatory grammar Roger Pique-Regi Wayne State University Center for Molecular Medicine and Genetics Biological Sciences 14 OSG Connect https://osg-htc.org/iid/d54pf46v5aqz 26 675 WayneStateU_Pruneau Simulations of heavy-ion collisions with Hydrodynamics Claude Pruneau Wayne State University Physics and Astronomy Physics 14 OSG Connect https://osg-htc.org/iid/d54pf46v5aqz 40.08 565 WayneStateU_Staff Staff at Wayne State University's HPC Services Michael Thompson Wayne State University High Performance Computing Services Multi-Science Community 14 OSG Connect https://osg-htc.org/iid/d54pf46v5aqz 30 566 WayneStateU_TDA Topological Data Analysis of fMRI Signals during Learning: Function to Structure Andrew Salch Wayne State University Mathmatics Mathematics 14 OSG Connect https://osg-htc.org/iid/d54pf46v5aqz 27.01 665 WeNMR WeNMR is a Virtual Research Community supported by EGI. WeNMR aims at bringing together complementary research teams in the structural biology and life science area into a virtual research community at a worldwide level and provide them with a platform integrating and streamlining the computational approaches necessary for data analysis and modelling. Alexandre Bonvin Utrecht University N/A Biological Sciences 73 ENMR https://osg-htc.org/iid/e333zusaa3hr 26 1498730645 Webster_Suo This work aims to construct a flexible scan system using multiple cameras that can correctly reconstruct 3D objects -- a human face with expression. The work proposed and used mathematical models to automate the 3D object reconstruction. Xiaoyuan Suo Webster University Computer and information science Computer Science https://osg-htc.org/iid/x8bhzbc8sk5b 11.0701 409 WheatGenomics Analysis of wheat genome and transcriptome datasets Ghana Challa South Dakota State University Biology Bioinformatics 18 CMS Connect https://osg-htc.org/iid/oqz71b6b44za 26.1103 1296704977 WichitaState_Hwang Analysis of porous media using pore-scale simulations of additively manufactured wicks with X-ray computed tomography. Gisuk Hwang Wichita State University Department of Mechanical Engineering Mechanical Engineering 14 OSG Connect https://osg-htc.org/iid/p3nn2sljiwwl 14.1901 5294497 Wichita_Figy My research field is Theoretical Physics, and I am working in Computational Quantum Field Theory. Terrance Figy Wichita State University Department of Mathematics, Statistics and Physics High Energy Physics https://osg-htc.org/iid/p3nn2sljiwwl 13.1213 2071953196 WiscNet_Plonka Experimenting and collaborating with HTC for WiscNet members. David Plonka WiscNet Research Computer Science https://osg-htc.org/iid/t8fk114ug1do 11.0901 794 Workshop-RMACC21 Project for RMACC 2021 participants Christina Koch Open Science Grid OSGConnect Training 14 OSG Connect https://osg-htc.org/iid/8hgx4a4ptpt9 30.3001 502819071 Wyoming_ARCC Group for ARCC staff at University of Wyoming. Mike Killean University of Wyoming Advanced Research Computing Center Research Computing https://osg-htc.org/iid/08r7n3jv5f14 11.0101 715 XSEDE_ECSS Support for XSEDE users through ECSS Robert Sinkovits University of California, San Diego San Diego Supercomputing Center Computer Science 14 OSG Connect https://osg-htc.org/iid/06wup3aye2t7 11.07 771 XSEDE_XCI The mission of the XSEDE Cyberinfrastructure Integration (XCI) team is to integrate, adapt, and disseminate software tools and related services across the national CI community enabling the US research community to do its work better and more easily than before – making it easier for administrators and users of campus-based cyberinfrastructure systems to make use of tools created by XSEDE for local benefit, and expand upon XSEDE's effort to enable the creation of an integrated national cyberinfrastructure. XCI is using OSG resources to learn how OSG tools and services work, and to explore potential areas of collaborations. This includes but is not limited to OSG Connect, HTCondor, CVMFS, and identity and access management services. https://www.xsede.org/ecosystem/ci-integration John-Paul Navarro Argonne National Lab XSEDE Cyberinfrastructure Integration (XCI) Computer Sciences 14 OSG Connect https://osg-htc.org/iid/26xdp9lwzmhd 11.0701a 135 XeTPC Investigate the physics potential of high pressure Xenon TPC for detection of rare processes and develop reconstruction techniques for extremely high granularity detectors. Adam Para Fermilab Scientific Computing Simulation High Energy Physics 9 Fermilab https://osg-htc.org/iid/ik4s3ql8u1j7 40.08 568792010 YSU_Yu Approximate query processing (or AQP) is an emerging research topic in big data analytics. AQP focuses on deriving fast and accurate estimations for complex queries that are usually time-consuming and expensive to run on large datasets. Traditional methods, such as histogram and sketch, are insufficient when applied to big data because of the processing limits. An essential question lacking research is how to assess the errors of AQP estimations. This project focuses on assessing the errors of AQP query estimations, especially for common selection queries. Traditional methods can generate confidence intervals for query estimations based on strict assumptions such as the normal distribution assumption. Therefore, they are not applicable to massive datasets. In this project, the PI will employ a novel non-parametric statistical method called bootstrap sampling which requires less strict assumptions and brings many statistical advantages. A prototype system will be developed employing bootstrap sampling to efficiently compute standard errors and confidence intervals for AQP systems, especially those answering selection queries, namely σ-AQP. Selection queries comprise a large portion of daily data queries. For broader applications, this framework will allow selection queries to include common aggregation operators such as average, sum, and count. The PI will investigate the computing and storage costs when bootstrap replicas are computed. A framework will be developed to automate both the AQP estimation and error estimation operations. Extensive benchmarks will be performed on large datasets such as the TPC-H benchmark. Feng Yu Youngstown State University Computer Science and Information Systems Computer Science https://osg-htc.org/iid/afu2chyu4qlj 11.0701 1773809937 Yale_DeMartini Numerical simulations of the (1+1)D abelian Higgs theory on the lattice focusing on the computation of the sphaleron rate at finite temperatures and potential connections between confinement and entanglement entropy. Dallas DeMartini Yale University Department of Physics Nuclear Physics https://osg-htc.org/iid/np1w2l1semy5 40.0806 1015924808 Yale_Lee The goal of this research is to perform inference of drug binding affinities by our recently developed AI models on a ultra-large scale. Ho-Joon Lee Yale University Genetics Genetics and Nucleic Acids https://osg-htc.org/iid/np1w2l1semy5 26.0801 608 Yale_RYang Network Resource Abstraction and Optimization for Large-Scale Scientific Workflow Richard Yang Yale University Department of Computer Science Computer and Information Services 14 OSG Connect https://osg-htc.org/iid/np1w2l1semy5 11.01 1523866829 Yale_Skelly Population genetics and Comparative genomics David Skelly Yale University Yale School of the Environment Evolutionary Sciences https://osg-htc.org/iid/np1w2l1semy5 24.0103 506586225 Yale_YCRC Yale Center for Research Computing - user facilitation Sinclair Im Yale University Center for Research Computing Computer Science 14 OSG Connect https://osg-htc.org/iid/np1w2l1semy5 11.07 437 a1synchrony We investigate how synchronous population activity arise in spiking dynamics of the sensory and other cortical areas. We especially focus on how primary auditory cortex modulate dynamical timescales during spontaneous bump dynamics in quiet wake condition and up and down states in anesthetized and sleep conditions. Yashar Ahmadian University of Oregon Institute of Neuroscience Neuroscience 14 OSG Connect https://osg-htc.org/iid/7j4ogzyjflij 26.15 1112265738 adattie Our laboratory uses mouse genetics to identify novel causal and responsive genes leading to metabolic diseases. Alan Attie University of Wisconsin–Madison Biochemistry Genetics and Nucleic Acids https://osg-htc.org/iid/fq8thqsj99zh 26.0801 374 all The South Pole Telescope (or SPT) is a new telescope deployed at the South Pole that is designed to study the Cosmic Microwave background. Constructed between November 2006 and February 2007, the SPT is the largest telescope ever deployed at the South Pole. This telescope provides astronomers a powerful new tool to explore dark energy, the mysterious phenomena that may be causing the universe to accelerate. SPT members from various institutions are all added into this group. This group utilize the OSG opportunistic cycles. John Carlstrom University of Chicago Physics Astrophysics 19 SPT Connect https://osg-htc.org/iid/o14joi278jrs 40.0202 68 aprime DarkLight experiment planned to run at Jefferson LAB in the upcoming years will search for a massive photon possibly produced in interaction of an electron with electric filed of a proton. Monte-Carlo simulations are needed design and optimize the Darklight experiment. The initial OSG-Connect resources of few CPU years will be sufficient. The simulation will use CERN libraries, namely: Geant4.10, root5.34, compiled on Scientific Linux 6.5. Jan Balewski Massachusetts Institute of Technology LNS Nuclear Physics 14 OSG Connect https://osg-htc.org/iid/jtlq7k0qkxtn 40.0806 426 asurcosg Testing OSG integration with ASU HPC Johnathan Lee Arizona State University Research Computing Computer and Information Science and Engineering 14 OSG Connect https://osg-htc.org/iid/er1rnzey26m9 11 292 atlas.org.Jet-EtMiss ATLAS Connect team for Jet EtMiss Robert William Gardner Jr US ATLAS Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/g29k1hhqys0y 40.08 296 atlas.org.Tau ATLAS Connect team for Tau Robert William Gardner Jr US ATLAS Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/g29k1hhqys0y 40.08 246 atlas.org.albany ATLAS Connect team for SUNY Albany Robert William Gardner Jr State University of New York at Albany Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/m9adt6gcsr8c 40.08 247 atlas.org.anl ATLAS Connect team for Argonne National Laboratory Robert William Gardner Jr Argonne National Laboratory Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/26xdp9lwzmhd 40.08 248 atlas.org.arizona ATLAS Connect team for University of Arizona Robert William Gardner Jr University of Arizona Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/7rjyoz6kb8vq 40.08 249 atlas.org.bnl ATLAS Connect team for Brookhaven National Laboratory Robert William Gardner Jr Brookhaven National Laboratory Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/g29k1hhqys0y 40.08 250 atlas.org.brandeis ATLAS Connect team for Brandeis University Robert William Gardner Jr Brandeis University Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/z5fxzhzsjpb0 40.08 251 atlas.org.bu ATLAS Connect team for Boston University Robert William Gardner Jr Boston University Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/drujeuinri1g 40.08 252 atlas.org.columbia ATLAS Connect team for Columbia University Robert William Gardner Jr Columbia University Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/avy4x5r4jsrw 40.08 91 atlas.org.duke Duke University's Tier 2 ATLAS group in ATLAS Connect. Doug Benjamin Duke University Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/v0pbd5jfz81s 40.08 90 atlas.org.fresnostate Fresno State University's Tier 3 ATLAS group in ATLAS Connect. Harinder Singh Bawa Fresno State University Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/yjoil34g24pn 40.08 253 atlas.org.hamptonu ATLAS Connect team for Hampton University Robert William Gardner Jr Hampton University Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/k38kbasl5hpd 40.08 254 atlas.org.harvard ATLAS Connect team for Harvard University Robert William Gardner Jr Harvard University Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/n1kbnzl7kyiv 40.08 255 atlas.org.iastate ATLAS Connect team for Iowa State University Robert William Gardner Jr Iowa State University Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/wbwnw037cybm 40.08 93 atlas.org.illinois University of Illinois Urbana/Champaign Tier 3 ATLAS group. Mark Neubauer University of Illinois Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/10izzs5e7v1r 40.08 92 atlas.org.indiana Indiana University Tier 3 ATLAS group. Frederick Luehring Indiana University Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/uws6kivcttuc 40.08 256 atlas.org.latech ATLAS Connect team for Louisiana Tech University Robert William Gardner Jr Louisiana Tech University Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/qmx56gydd858 40.08 257 atlas.org.lbnl ATLAS Connect team for Lawrence Berkeley National Laboratory Robert William Gardner Jr Lawrence Berkeley National Laboratory Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/bvf12qyqplv6 40.08 258 atlas.org.louisville University of Louisville Robert William Gardner Jr University of Louisville Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/hmbcygnwgzdu 40.08 259 atlas.org.mit ATLAS Connect team for MIT Robert William Gardner Jr Massachusetts Institute of Technology Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/jtlq7k0qkxtn 40.08 260 atlas.org.msu ATLAS Connect team for Michigan State University Robert William Gardner Jr Michigan State University Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/wala2w0ka0gb 40.08 261 atlas.org.niu ATLAS Connect team for Northern Illinois University Robert William Gardner Jr Northern Illinois University Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/4q4axu2r92r6 40.08 262 atlas.org.nyu ATLAS Connect team for New York University Robert William Gardner Jr New York University Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/hjcl6b3vh3ox 40.08 263 atlas.org.okstate ATLAS Connect team for Oklahoma State University Robert William Gardner Jr Oklahoma State University Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/ogvkim1urhzk 40.08 264 atlas.org.osu ATLAS Connect team for The Ohio State University Robert William Gardner Jr The Ohio State University Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/984ms2rzh7do 40.08 265 atlas.org.ou ATLAS Connect team for Oklahoma University Robert William Gardner Jr Oklahoma University Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/xvsrc4eixk2g 40.08 266 atlas.org.pitt ATLAS Connect team for University of Pittsburgh Robert William Gardner Jr University of Pittsburgh Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/2ayx10b74xua 40.08 267 atlas.org.sc ATLAS Connect team for University of South Carolina Robert William Gardner Jr University of South Carolina Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/p58u55ae2ahu 40.08 268 atlas.org.slac ATLAS Connect team for SLAC National Accelerator Laboratory Robert William Gardner Jr SLAC National Accelerator Laboratory Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/gsbt8law2xf0 40.08 269 atlas.org.smu ATLAS Connect team for Southern Methodist University Robert William Gardner Jr Southern Methodist University Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/9g1dmrei1pes 40.08 270 atlas.org.stonybrook ATLAS Connect team for State University of New York — Stony Brook Robert William Gardner Jr State University of New York at Stony Brook Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/qqd2s2b6m7eh 40.08 271 atlas.org.tufts ATLAS Connect team for Tufts University Robert William Gardner Jr Tufts University Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/vtcuoa0mgv9x 40.08 63 atlas.org.uchicago Tier3 computing for the UChicago ATLAS group via the ATLAS Connect service Robert William Gardner Jr University of Chicago High Energy Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/o14joi278jrs 40.08 272 atlas.org.uci ATLAS Connect team for University of California, Irvine Robert William Gardner Jr University of California, Irvine Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/ss614ab1u5qd 40.08 273 atlas.org.ucsc ATLAS Connect team for University of California, Santa Cruz Robert William Gardner Jr University of California, Santa Cruz Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/n6cai04882ca 40.08 274 atlas.org.uiowa ATLAS Connect team for University of Iowa Robert William Gardner Jr University of Iowa Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/2eafckbgu51c 40.08 275 atlas.org.umass ATLAS Connect team for University of Massachusetts Robert William Gardner Jr University of Massachusetts Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/sqj1fi5b7fdj 40.08 276 atlas.org.unm ATLAS Connect team for University of New Mexico Robert William Gardner Jr University of New Mexico Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/pclpz1bwbpdi 40.08 277 atlas.org.uoregon ATLAS Connect team for University of Oregon Robert William Gardner Jr University of Oregon Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/7j4ogzyjflij 40.08 278 atlas.org.upenn ATLAS Connect team for University of Pennsylvania Robert William Gardner Jr University of Pennsylvania Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/nv2rjrft01gg 40.08 279 atlas.org.uta ATLAS Connect team for University of Texas - Arlington Robert William Gardner Jr University of Texas at Arlington Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/fcm0rnxmtcor 40.08 280 atlas.org.utdallas ATLAS Connect Team for University of Texas - Dallas Robert William Gardner Jr University of Texas at Dallas Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/eouhp4r1y2e2 40.08 281 atlas.org.utexas ATLAS Connect team for University of Texas-Austin Robert William Gardner Jr University of Texas at Austin Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/6z0d22dz19io 40.08 282 atlas.org.washington ATLAS Connect team for University of Washington Robert William Gardner Jr University of Washington Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/8lpmoeouw66o 40.08 283 atlas.org.wisc ATLAS Connect team for University of Wisconsin Robert William Gardner Jr University of Wisconsin–Madison Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/fq8thqsj99zh 40.08 284 atlas.org.yale ATLAS Connect team for Yale University Robert William Gardner Jr Yale University Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/np1w2l1semy5 40.08 285 atlas.wg.B-Physics ATLAS Connect team for B Physics Robert William Gardner Jr US ATLAS Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/g29k1hhqys0y 40.08 287 atlas.wg.E-Gamma ATLAS Connect team for E Gamma Robert William Gardner Jr US ATLAS Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/g29k1hhqys0y 40.08 242 atlas.wg.Exotics We study exotics. Robert William Gardner Jr ATLAS ATLAS High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/8alpqdbfmj7m 40.08 288 atlas.wg.Flavour-Tagging ATLAS Connect team for Flavour Tagging Robert William Gardner Jr US ATLAS Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/g29k1hhqys0y 40.08 289 atlas.wg.Heavy-Ions ATLAS Connect team for Heavy Ions Robert William Gardner Jr US ATLAS Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/g29k1hhqys0y 40.08 290 atlas.wg.Higgs ATLAS Connect team for Higgs Robert William Gardner Jr US ATLAS Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/g29k1hhqys0y 40.08 291 atlas.wg.Inner-Tracking ATLAS Connect team for Inner Tracking Robert William Gardner Jr US ATLAS Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/g29k1hhqys0y 40.08 293 atlas.wg.Monte-Carlo ATLAS Connect team for Monte Carlo Robert William Gardner Jr US ATLAS Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/g29k1hhqys0y 40.08 294 atlas.wg.SUSY ATLAS Connect team for SUSY Robert William Gardner Jr US ATLAS Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/g29k1hhqys0y 40.08 295 atlas.wg.Standard-Model ATLAS Connect team for Standard Model Robert William Gardner Jr US ATLAS Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/g29k1hhqys0y 40.08 297 atlas.wg.Top ATLAS Connect team for Top Robert William Gardner Jr US ATLAS Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/g29k1hhqys0y 40.08 325 atlas.wg.USAtlas-TechSupport Atlas Connect training project Robert William Gardner Jr University of Chicago Computation Institute High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/o14joi278jrs 40.08 286 atlas.wg.combined-muon ATLAS Connect team for Combined Muon Robert William Gardner Jr US ATLAS Physics High Energy Physics 16 ATLAS Connect https://osg-htc.org/iid/g29k1hhqys0y 40.08 470 bdttpdblend We will utilize the Open Science Grid to conduct quantum chemical calculations and kinetic Monte Carlo simulations of organic photovoltaic morphologies. We have a simulation pipeline that enables high throughput material screening for chemistires and processing conditions relevent for organic photovoltaic devices. We will use molecular configurations from previously simulated morphologies, generated with molecular dynamics code accelerated by GPUs. Eric Jankowski Boise State University Material Science and Engineering Computational Condensed Matter Physics 14 OSG Connect https://osg-htc.org/iid/qqv9wksxyp5i 40.0808 542 bobbot DEM simulation for compression of active particles. Daniel I Goldman Georgia Institute of Technology Physics Biophysics 14 OSG Connect https://osg-htc.org/iid/uvf22j6xjbtv 26.02 1843044789 bockelman Group for CHTC staff using bbockelman's Research Drive Brian Bockelman University of Wisconsin–Madison Computer Sciences Computer Sciences https://osg-htc.org/iid/fq8thqsj99zh 11.0701a 126 boostconf Project for data sharing and analysis of boosted object physics and jet phenomenology for topics discussed in the BOOST Conference Series David Wilkins Miller University of Chicago Physics High Energy Physics 14 OSG Connect https://osg-htc.org/iid/o14joi278jrs 40.08 539 brainlifeio Neuroscience is engaging at the forefront of science by dissolving disciplinary boundaries and promoting transdisciplinary research. This process can facilitate discovery by convergent efforts from theoretical, experimental and cognitive neuroscience, as well as computer science and engineering. Franco Pestilli Indiana University Psychological and Brain Sciences Neuroscience 14 OSG Connect https://osg-htc.org/iid/uws6kivcttuc 26.15 510 cellpainting We aim to pioneer a new era where images of cells become powerful, rich, unbiased data sources for comparing cell state. We predict that doing so will allow rapid and inexpensive interrogation of the impact of genetic or chemical perturbations on a cell - useful for a variety of important applications in biology. In morphological profiling, we construct signatures of genes, chemicals, or other treatments by measuring the structural changes in treated cells, as observed under a microscope. Cells are stained with fluorescent dyes that mark several constituents, producing images from which hundreds of distinct measurements can be extracted at the single cell level. We will carry out proof-of-principle computational experiments using morphological profiling in diverse and significant applications, such as connecting unannotated genes to known pathways, identifying signatures of disease, predicting a small molecule’s mechanism of action, enriching chemical libraries for diverse bioactivity, and identifying new compounds or materials with desired phenotypic effects. Despite our successes in this field so far, the methods development for morphological profiling is a wild frontier: novel methods are used but not compared, integration with other data types (such as transcriptomics) has not ! been explored, and deep learning is not yet leveraged to its potential. We will continue to push forward the technology development needed in our driving biological projects. We will make data and code publicly available to catalyze the field. Ultimately, we aim to develop best practices for the field and create the foundation for user-friendly, open-source tools to discover and quantify relationships among genetic or chemical perturbations and disease state, across a diverse array of biological areas of study and disease areas. Shantanu Singh Broad Institute Imaging Platform Molecular and Structural Biosciences 14 OSG Connect https://osg-htc.org/iid/e9m0sui7r154 26 149 cgdna Molecular-level information of DNA at nanometer length scales is of fundamental interest to many aspects of nanotechnology and biology. Molecular models provide a powerful tool to interrogate these systems by providing detailed thermodynamic and kinetic information. Towards this end, this project involves developing highly-accurate coarse-grained models of DNA and using them to study complex nano-scale phenomena. Juan J de Pablo University of Chicago Institute of Molecular Engineering Molecular and Structural Biosciences 14 OSG Connect https://osg-htc.org/iid/o14joi278jrs 26 156 cgl We use machine learning to look for complex epistatic interactions associated with disease risk. Website: http://www.epistasis.org Jason H. Moore University of Pennsylvania Biostatistics and Epidemiology Biological Sciences 14 OSG Connect https://osg-htc.org/iid/nv2rjrft01gg 26 576 chemml Data-driven machine learning as surrogates for quantum chemical methods. Data from the project will be made open to improve existing quantum ML methods as well as next generation atomistic force fields. Geoffrey Hutchison University of Pittsburgh Chemistry Chemistry 14 OSG Connect https://osg-htc.org/iid/2ayx10b74xua 40.05 598 clarkson_mondal Feature Selection and Prediction of Rheumatoid Arthritis from Comorbidities using Bayesian Logistic Regression Sumona Mondal Clarkson University Mathematics Mathematics 14 OSG Connect https://osg-htc.org/iid/o2qtl8pbjmss 27.01 714 clas12MC Jefferson Laboratory Hall-B CLAS12 project Maurizio Ungaro Jefferson Lab Physics Nuclear Physics 14 OSG Connect https://osg-htc.org/iid/hlz41oydapzn 40.0806 227 cms-org-baylor CMS Connect at Baylor University Kenichi Hatakeyama Baylor University Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/c8uhtb8bojit 40.08 373 cms-org-cern CMS Connect group for CERN Achille Petrilli CERN Physics Particle Physics 18 CMS Connect https://osg-htc.org/iid/8alpqdbfmj7m 40.0804 136 cms-org-nd CMS Connect at Notre Dame Kevin Lannon University of Notre Dame High Energy Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/mavkovkq2s0l 40.08 456 cms.org.baylor CMS Connect at Baylor University Kenichi Hatakeyama Baylor University Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/c8uhtb8bojit 40.0804 233 cms.org.brown CMS Connect at Brown University Meenakshi Narain Brown University Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/0ytxfy0n4hol 40.0804 216 cms.org.bu CMS Connect at Boston University Jim Rohlf Boston University Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/drujeuinri1g 40.08 238 cms.org.buffalo CMS Connect at State University of New York at Buffalo Avto Kharchilava State University of New York at Buffalo Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/1cze98vy4hfm 40.08 197 cms.org.caltech CMS Connect at Caltech Harvey Newman Caltech Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/m9rrh8ld1wyh 40.08 453 cms.org.cern CMS Connect group for CERN Achille Petrilli CERN Physics Particle Physics 18 CMS Connect https://osg-htc.org/iid/8alpqdbfmj7m 40.0804 234 cms.org.cmu CMS Connect at Carnegie-Mellon University Manfred Paulini Carnegie-Mellon University Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/3cqqrc2cgibl 40.08 144 cms.org.colorado CMS Connect project for University of Colorado Douglas Johnson University of Colorado Boulder Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/gpeckuwpdnrs 40.0804 224 cms.org.cornell CMS Connect at Cornell University Jim Alexander Cornell University Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/0lcrhlbjpu9r 40.08 203 cms.org.fairfield CMS Connect at Fairfield Dave Winn Fairfield Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/j7cdzoql3356 40.08 204 cms.org.fit CMS Connect at Florida Institute of Technology Marc Baarmand Florida Institute of Technology Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/o4qs4gpcylcj 40.08 205 cms.org.fiu CMS Connect at Florida International University Pete Markowitz Florida International University Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/gyqnlof5dslq 40.08 143 cms.org.fnal CMS Connect group for FNAL Lothar Bauerdick Fermilab Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/ik4s3ql8u1j7 40.0804 206 cms.org.fsu CMS Connect at Florida State University Todd Adams Florida State University Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/0yddmgnh2xl5 40.0804 214 cms.org.jhu CMS Connect at Johns Hopkins University Morris Swartz Johns Hopkins University Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/3fml5tx2uhe0 40.08 212 cms.org.ksu CMS Connect at Kansas State University Yurii Maravin Kansas State University Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/kxvagjjgn71t 40.08 213 cms.org.ku CMS Connect at The University of Kansas Alice Bean The University of Kansas Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/3dxfebv9ibby 40.0804 198 cms.org.llnl CMS Connect at Lawrence Livermore National Laboratory Doug Wright Lawrence Livermore National Laboratory Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/p4yzz1wxq2g3 40.08 217 cms.org.mit CMS Connect at Massachusetts Institute of Technology Christoph Paus Massachusetts Institute of Technology Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/jtlq7k0qkxtn 40.0804 454 cms.org.nd CMS Connect at Notre Dame Kevin Lannon University of Notre Dame High Energy Physics Particle Physics 18 CMS Connect https://osg-htc.org/iid/mavkovkq2s0l 40.0804 218 cms.org.neu CMS Connect at Northeastern University Emanuela Barbaris Northeastern University Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/454t2lfhcfpp 40.08 208 cms.org.northwestern CMS Connect at Northwestern University Mayda Velasco Northwestern University Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/5vvknn2bzgvt 40.08 235 cms.org.ohiostate CMS connect at Ohio State University Stan Durkin Ohio State University Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/984ms2rzh7do 40.0804 221 cms.org.olemiss CMS Connect at University of Mississipi Lucien Cremaldi University of Mississipi Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/bigpgrrmxblz 40.08 222 cms.org.princeton CMS Connect at Princeton University Dan Marlow Princeton University Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/ao845i5pul3m 40.08 209 cms.org.purdue CMS Connect at Purdue University Norbert Neumeister Purdue University Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/y2m2tk3a8pp6 40.08 210 cms.org.purduecal CMS Connect at Purdue University Calumet Neeti Parashar Purdue University Calumet Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/hwghxctrdgzw 40.08 228 cms.org.rice CMS Connect at Rice University Jay Roberts Rice University Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/mqyva49x2em4 40.08 237 cms.org.rochester CMS Connect at University of Rochester Regina Demina University of Rochester Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/v3s5cj6tgrvz 40.0804 225 cms.org.rockefeller CMS Connect at Rockefeller University Dino Goulianos Rockefeller University Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/aqxl1a73eq99 40.08 223 cms.org.rutgers CMS Connect at Rutgers University Amit Lath Rutgers, The State University of New Jersey Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/qrem5k97ikiv 40.08 229 cms.org.tamu CMS Connect at Texas A&M University Alexei Safonov Texas A&M University Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/8wqbbz4i2cma 40.08 230 cms.org.ttu CMS Connect at Texas Tech University Nural Akchurin Texas Tech University Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/dm49jc7i86zx 40.08 196 cms.org.ua CMS Connect at University of Alabama Conor Henderson University of Alabama Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/h3mnbxmdwx24 40.08 199 cms.org.ucdavis CMS Connect at University of California, Davis John Conway University of California, Davis Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/f62wuiqfjmxm 40.08 200 cms.org.ucla CMS Connect at Universify of California, Los Angeles Jay Hauser University of California, Los Angeles Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/4vhk41w4vvn6 40.08 201 cms.org.ucr CMS Connect at University of California, Riverside Gail Hanson University of California, Riverside Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/zy99b9jjoqpb 40.08 202 cms.org.ucsb CMS Connect at University of California, Santa Barbara Joe Incandela University of California, Santa Barbara Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/rglo22hiw2ge 40.08 141 cms.org.ucsd CMS Connect group for UCSD Frank Wuerthwein University of California, San Diego Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/06wup3aye2t7 40.0804 207 cms.org.ufl CMS Connect at University of Florida Gena Mitselmakher University of Florida Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/84k5udeuw65m 40.08 232 cms.org.uic CMS Connect at University of Illinois at Chicago Nikos Varelas University of Illinois Chicago Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/y691qclum4cv 40.08 211 cms.org.uiowa CMS Connect at University of Iowa Yasar Onel University of Iowa Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/2eafckbgu51c 40.08 215 cms.org.umd CMS Connect at University of Maryland Andris Skuja University of Maryland Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/h5syhdikri9a 40.0804 220 cms.org.umn CMS Connect at University of Minnesota Roger Rusack University of Minnesota Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/3chofmlz7p5r 40.08 142 cms.org.unl CMS Connect group for UNL Kenneth Bloom University of Nebraska\u2013Lincoln Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/q9k1b8dfrw25 40.08 236 cms.org.upr CMS Connect at University of Puerto Rico Malik Sudhir University of Puerto Rico Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/43gwnkrodhv9 40.08 226 cms.org.utk CMS Connect at University of Tennessee Stefan Spanier University of Tennessee Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/hp8930spi37u 40.08 239 cms.org.vanderbilt CMS Connect at Vanderbilt University Will Johns Vanderbilt University Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/7bgts07ydpxp 40.08 231 cms.org.virginia CMS Connect at University of Virginia Brad Cox University of Virginia Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/qr5lr81ioeu4 40.0804 219 cms.org.wayne Wayne State University Paul Karchin Wayne State University Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/d54pf46v5aqz 40.0804 240 cms.org.wisc CMS Connect at University of Wisconsin Wesley Smith University of Wisconsin–Madison Physics High Energy Physics 18 CMS Connect https://osg-htc.org/iid/fq8thqsj99zh 40.0804 429 colorcat Different languages divide the visible light spectrum into words (e.g. "red," "green," "blue" ... in English) in different ways. However, despite the apparent freedom in assigning colors to different categories, there are clear universal patterns across languages in how they divide color space according to the number of color terms in the language. This pattern has now been empirically well established, however there remains a confusion of theories for why this pattern should exist at all. In fact, a simple, evolutionary model in tandem with a model of perceptual color space and color saliency, completely accounts for the observed universal patterns. We will use the open science grid to explore the parameter space of this model via many parallel, independent runs of the dynamics to find the best fit parameter values to the language data available. Joshua B. Plotkin University of Pennsylvania Biology Evolutionary Sciences 14 OSG Connect https://osg-htc.org/iid/nv2rjrft01gg 26.13 101 compcomb Computational Combinatorics uses significant computational resources to solve problems in combinatorics, graph theory, and discrete mathematics. Derrick Stolee Iowa State University Mathematics Mathematical Sciences 67 HCC https://osg-htc.org/iid/wbwnw037cybm 27 505 cyverse CyVerse is a cyberinfrastructure project (formerly iPlant Collaborative). This project will be an umbrella for initial testing of OSG integration, with the hope that eventually we will instead ask users for their own projects to submit with jobs. Nirav Merchant University of Arizona Biology Biological Sciences 14 OSG Connect https://osg-htc.org/iid/7rjyoz6kb8vq 26 94 dVdT The main goal of the project is to design a computational framework that enables computational experimentation at scale while supporting the model of “submit locally, compute globally”. The project focuses on estimating application resource needs, finding the appropriate computing resources, acquiring those resources, deploying the applications and data on the resources, managing applications and resources during run. The project also aims to advance the understanding of resource management within a collaboration in the areas of: trust, planning for resource provisioning, and workload, computer, data, and network resource management. Ewa Deelman University of Southern California Information Sciences Institute Computer and Information Science and Engineering 30 OSG https://osg-htc.org/iid/6edduwj65dlr 11 485 darkside Project entry for the Darkside VO. http://darkside.lngs.infn.it/ Lisa Goodenough Darkside N/A High Energy Physics 103 Darkside https://osg-htc.org/iid/mktiwfxf07og 40.08 415 ddpscbioinfo The Donald Danforth Plant Science Center Bioinformatics project tracks Open Science Grid computing usage by Danforth Center researchers. Bioinformatics research at the Danforth Center largely focuses on plant genomics (genome sequencing, genetic analysis, transcript profiling, etc.) and high-throughput phenotyping (image analysis, genotype-phenotype association analysis, etc.). Noah Fahlgren Donald Danforth Plant Science Center Bioinformatics Plant Biology 14 OSG Connect https://osg-htc.org/iid/rsgxpux8bm0h 26.03 58 duke-4fermion We are performing a lattice field theory calculation of a 2 flavor fermion model with a four fermion interaction. We look for critical behavior at strong coupling. Shailesh Chandrasekharan Duke University Physics Department High Energy Physics 15 Duke https://osg-htc.org/iid/v0pbd5jfz81s 40.08 352 duke-CMT We are condensed-matter theorists at Duke. We study the onset of strong correlation in various setups, such as qubits coupled to a 1D waveguide and impurities immersed in an electromagnetic environment. With the aid of the OSG distributive environment, we are able to solve problems using a variety of numerical approaches, including but not limited to quantum Monte Carlo, quantum jumps, etc. Harold U. Baranger Duke University Physics Computational Condensed Matter Physics 15 Duke https://osg-htc.org/iid/v0pbd5jfz81s 40.0808 390 duke-EfficientScore We will benchmark various algorithms to benchmark the efficient score. Konosuke Iwamoto Duke University Biostatistics Statistics 15 Duke https://osg-htc.org/iid/v0pbd5jfz81s 27.05 308 duke-SWC-Duke15 Training Workshop Mark R. DeLong University of Chicago Computation Institute Multi-Science Community 15 Duke https://osg-htc.org/iid/o14joi278jrs 30 109 duke-WaterCrystal Water structure in protein crystals Patrick Charbonneau Duke University Chemistry Biochemistry 15 Duke https://osg-htc.org/iid/v0pbd5jfz81s 26.0202 380 duke-bgswgs To study the genomic and genetic aspects of brainstem gliomas Hai Yan Duke University Pathology Bioinformatics 15 Duke https://osg-htc.org/iid/v0pbd5jfz81s 26.1103 318 duke-boolnet Experimental Boolean networks built on FPGAs, with the purpose of studying the fundamental dynamical properties of complex Daniel Gauthier Duke University Physics Physics 15 Duke https://osg-htc.org/iid/v0pbd5jfz81s 40.08 60 duke-campus Default project for new Duke users Tom Milledge Duke University Scalable Computing Suport Center-OIT Community Grid 15 Duke https://osg-htc.org/iid/v0pbd5jfz81s 30.3001 391 duke-staff campus project Tom Milledge Duke University IT Community Grid 15 Duke https://osg-htc.org/iid/v0pbd5jfz81s 30.3001 190 duke-swcstaff Duke Software Carpentry Workshop from Oct 27th to Oct 29th 2015 http://swc-osg-workshop.github.io/2015-10-27-duke/index.html Mark R. DeLong Duke University Office of Information Technology Multi-Science Community 15 Duke https://osg-htc.org/iid/v0pbd5jfz81s 30 681 duke.lsst Large Synoptic Survey Telescope at Duke Steven Kahn Duke University Physics Astronomy 15 Duke https://osg-htc.org/iid/v0pbd5jfz81s 40.02 678 duke.ppsa Theoretical underpinnings of macromolecular crystalization Irem Altan Duke University Chemistry Chemistry 15 Duke https://osg-htc.org/iid/v0pbd5jfz81s 40.05 496 dynamo Equilibrium dynamical models are useful tools for inferring the mass distribution of galaxies and determining the amount and structure of their dark matter halos. The goal of this work is to explore degeneracies in the modeling of elliptical galaxies to evaluate how well we can understand properties such as their dark matter density distribution, the mass-to-light ratio of their stellar populations, and the orbital anisotropy of various tracer populations. Asher Wasserman University of California, Santa Cruz Astronomy and Astrophysics Astrophysics 14 OSG Connect https://osg-htc.org/iid/n6cai04882ca 40.0202 1677287435 ePIC the ePIC collaboration based out of the EIC John Lajoie Brookhaven National Laboratory Physics Nuclear Physics 139 EIC https://osg-htc.org/iid/g29k1hhqys0y 40.0806 531 eht The Event Horizon Telescope (EHT) is an international collaboration aiming to capture the first image of a black hole by creating a virtual Earth-sized telescope. Chi-Kwan Chan University of Arizona Astronomy Astronomy 14 OSG Connect https://osg-htc.org/iid/7rjyoz6kb8vq 40.0202 422 electrolytes Molecular Dynamics simulations of concentrated electrolyte mixtures both in bulk and at interfaces, and spectroscopic characterization of these systems. Electronic Structure calculations used to investigate specific interactions between liquid components Jesse McDaniel Georgia Institute of Technology Chemistry and Biochemistry Chemistry 14 OSG Connect https://osg-htc.org/iid/uvf22j6xjbtv 40.05 125 errorstudy Missing data and genotyping errors are common features of microsatellite data sets used to infer the genetic structure of natural populations. We used simulated data to quantify the effect of these data aberrations on the accuracy of population structure inference. Data sets were simulated under the coalescent and ranged from panmictic to highly subdivided with complex, randomly generated, population histories. Models describing the characteristic patterns of missing data and genotyping error in real microsatellite data sets were developed, and used to modify the simulated data sets. Performance of an ordination, a tree based, and a model based Bayesian method of population structure inference was evaluated before and after data set modifications. The ability to recover correct population clusters decreased as missing data increased. The rate of decrease was similar among analytical procedures, thus no single analytical approach was preferable when faced with incomplete data. Researchers should expect to retrieve 3–4% fewer correct clusters for every 1% of a data matrix made up of missing data using these methods. For every 1% of a matrix that contained erroneous genotypes, approximately 1–2% fewer correct clusters were recovered using ordination and tree based methods. A Bayesian procedure that minimizes the deviation from Hardy Weinberg equilibrium in order to assign individuals to clusters performed better as genotyping error increased. We attribute this surprising result to the inbreeding like nature of microsatellite genotyping error, and recommend the use of related analytical methods that explicitly account for inbreeding, as a means to mitigate the effect of genotyping error. Christopher Richards USDA Agricultural Research Service National Center for Genetic Resources Preservation Molecular and Structural Biosciences 14 OSG Connect https://osg-htc.org/iid/04zshkcip94w 26 404 evolmarinva Our group uses genomic tools to understand the evolutionary process of marine invasions. Erik Sotka College of Charleston Department of Biology Evolutionary Sciences 14 OSG Connect https://osg-htc.org/iid/feign8xjq7s1 26.13 441 extinction Population dynamics simulations in R and Python will be used to understand how increasing environmental variability due to climate change and habitat degradation interact and affect a species' time to extinction. Shripad Tuljapurkar Stanford University Biology Ecological and Environmental Sciences 14 OSG Connect https://osg-htc.org/iid/keucrg5vtwtm 26.13 326 fluidsim In this project we study fluid/structure interactions using a novel particle-based fluid simulation technique. Erkan Tuzel Worcester Polytechnic Institute Physics Physics 14 OSG Connect https://osg-htc.org/iid/ndhm574vy927 40.08 245 freesurfer Brain image analysis with free surfer software Donald Krieger University of Pittsburgh Department of Neurological Surgery Neuroscience 14 OSG Connect https://osg-htc.org/iid/2ayx10b74xua 26.15 575 fsuFin Financial market optimizer machines and option prediction François Cocquemas Florida State University Business Finance 14 OSG Connect https://osg-htc.org/iid/0yddmgnh2xl5 52 434 g4PSI MUSE is an experiment to measure the proton radius using muon and electron scattering. I work on simulations of the experiment using GEANT4, a particle physics simulation toolkit. Wolfgang Lorenzon University of Michigan Physics High Energy Physics 14 OSG Connect https://osg-htc.org/iid/4ocf9kvq30fn 40.08 140 gem5 The work is looking into microarchitectural details utilizing gem5 to do cycle-accurate simulation of an O3 processor. The work additionally uses McPAT and Hotspot to flush out the research framework. Dean Tullsen University of California, San Diego Computer Science and Engineering Multi-Science Community 14 OSG Connect https://osg-htc.org/iid/06wup3aye2t7 30 448 glass Glass problem is one of the outstanding unsolved problems in condensed matter physics. The exact solution of a model glass former in the limit of infinite spatial dimension exhibit a dynamical critical point. It is important to check the robustness of the resulting description under changing d for fundamental understanding. In this project we aim to take a closer look at this dynamical criticality as a function of spatial dimensions, using models of polydisperse hard sphere fluids. Computer simulation is an essential tool to pursue this study. Patrick Charbonneau Duke University Chemistry Computational Condensed Matter Physics 15 Duke https://osg-htc.org/iid/v0pbd5jfz81s 40.0808 490 gm2 Project entry corresponding to the gm2 VO (Muon g-2 at Fermilab). Lisa Goodenough Fermilab N/A High Energy Physics 9 Fermilab https://osg-htc.org/iid/ik4s3ql8u1j7 40.0804 53 gridsgenomes The use of methylation-specific restriction enzymes to preferentially cleave 5'-CCGG-3' sites in conjunction with Next Generation Sequencing platforms has formed the basis for the widely used Methyl-seq and HELP-tagging assays. The recent development of an R package using a Bayesian hierarchical model approach, msBayes, offered a statistically rigorous alternative to the basic tag-counting/geometric mapping previously used for these two techniques. Its dependence on the WinBUGS package however, severely limited its performance and usage by the community. We have re-implemented msBayes to make use of both OpenBUGS and OpenMP, and have integrated this new core module, msBayes2.0, into a web-based platform and subsequent deployment and processing on a diversity of computing platforms. David Rhee Albert Einstein College of Medicine Genetics Biological Sciences 30 OSG https://osg-htc.org/iid/yzcm7hs9f1d0 26 300 hABCNWHI Hierarchical Approximate Bayesian Computation to Detect Community Response to Sea Level Change in the Hawaiian Archipelago. Methods that integrate population sampling from multiple taxa into a single analysis are a much needed addition to the comparative phylogeographic toolkit. Here we present a statistical framework for multi-species analysis based on hierarchical approximate Bayesian computation (hABC) for inferring community dynamics and concerted demographic response. Detecting community response to climate change is an important issue with regards to how species have and will react to past and future events. Furthermore, whether species responded individualistically or in concert is at the center of related questions about the abiotic and biotic determinants of community assembly. This method combines multi-taxon genetic datasets into a single analysis to determine the proportion of a contemporary community that historically expanded in a temporally clustered pulse as well as when the pulse occurred. We will apply this method to 59 species in the Hawaiian Archip ela! go in order to examine community response of coral reef taxa to sea-level change in Hawaii. The method can accommodate dataset heterogeneity such as variability in effective population size, mutation rates, and sample sizes across species and utilizes borrowing strength from the simultaneous analysis of multiple species. This hABC framework used in a multi-taxa demographic context can increase our understanding of the impact of historical climate change by determining what proportion of the community responded in concert or independently, and can be used with a wide variety of comparative phylogeographic datasets as biota-wide DNA barcoding data sets accumulate. Yvonne Chan Iolani School Biology Biological Sciences 14 OSG Connect https://osg-htc.org/iid/7a8v0ry5p83u 26 384 holosim simulations of population genetics in 2d landscapes Allan Strand College of Charleston Biology Evolutionary Sciences 14 OSG Connect https://osg-htc.org/iid/feign8xjq7s1 26.13 679 icarus ICARUS, the worlds' first large liquid-argon neutrino detector Carlo Rubbia Fermilab N/A High Energy Physics 9 Fermilab https://osg-htc.org/iid/ik4s3ql8u1j7 40.08 366 idTrackerParallel Running the idTracker software (http://www.idtracker.es/) in parallel on OSG. Andrew Ruether Swarthmore College ITS Evolutionary Sciences 14 OSG Connect https://osg-htc.org/iid/a9u068qpwh85 26.13 1493706814 jmkidney Legacy Project. For current usage, see CUAnschutz_JuarezColunga Elizabeth Juarez Colunga University of Colorado Anschutz Medical Campus Biostatistics and Informatics Biostatistics https://osg-htc.org/iid/ca3jfb3f8sv3 26.1102 370 lftsim We are simulating quantum field theory and many particle systems using lattice field theory techniques. Although some of our work involves lattice QCD, much of it does not. It encompasses supersymmetric systems and phase transitions in nonrelativisting systems. Joel Giedt Rensselaer Polytechnic Institute Physics High Energy Physics 14 OSG Connect https://osg-htc.org/iid/z9jynyyvt051 40.08 468 lychrelsearch This project will search for and perform limited verification of potential Lychrel numbers. A Lychrel number is a natural number that through reversing its digits and adding them together, repeatedly, does not form a palindrome. James P. Howard, II Johns Hopkins University Mathematics Mathematical Sciences 14 OSG Connect https://osg-htc.org/iid/3fml5tx2uhe0 27 185 mab Developing new policies for the (classical) Multi-Armed Bandit problem. Vivek Farias Massachusetts Institute of Technology Sloan School of Management Information Theory 14 OSG Connect https://osg-htc.org/iid/jtlq7k0qkxtn 52 401 macsSwigmodels Every individual’s genome carries within it the history of all the ancestors of that individual. Thus, by analyzing a small number of genomes, we can accurately infer the demographic history of entire human populations. This demographic history helps establish a baseline that is needed for research and discovery in medical genomics. We are using a process to more accurately infer the demographic history of human populations by comparing genomic statistics from millions of genome simulations to real population genomic data. While other researchers have worked with this process using only a few individuals or a portion of a chromosome, we are pushing the limit of computing capabilities by simulating whole chromosomes of hundreds of individuals. Using the whole chromosome allows us to look at more recent demographic history, which is particularly helpful in finding genetic links to disease processes. After publication, we will make our pipeline available so other researchers can apply it to other populations. This project pushes the frontier of genomic research in that it uses new methods, simulates a larger part of the genome, and is being applied to populations not yet thoroughly studied. Ariella Gladstein University of Arizona Ecology and Evolutionary Biology Evolutionary Sciences 14 OSG Connect https://osg-htc.org/iid/7rjyoz6kb8vq 26.13 500 mars Dummy project corresponding to the mars VO. Lisa Goodenough Fermilab N/A High Energy Physics 9 Fermilab https://osg-htc.org/iid/ik4s3ql8u1j7 40.08 121 megaprobe high performance sequence analysis Humberto Ortiz-Zuazaga University of Puerto Rico Computer Science Computer and Information Science and Engineering 14 OSG Connect https://osg-htc.org/iid/43gwnkrodhv9 11 244 microphases Periodic microphases universally emerge in systems for which short-range inter-particle attraction is frustrated by long-range repulsion. The morphological richness of these phases makes them desirable material targets, but our relatively coarse understanding of even simple models limits our grasp of their assembly. The OSG computing resources will enable us to explore more solutions of the equilibrium phase behavior of a family of similar microscopic microphase formers through specialized Monte Carlo simulations. Patrick Charbonneau Duke University Chemistry Chemistry 14 OSG Connect https://osg-htc.org/iid/v0pbd5jfz81s 40.05 375 molcryst Quantum chemical and machine learning insights into supra-molecular organization of molecular crystals. Olexandr Isayev University of North Carolina at Chapel Hill Chemistry Chemistry 14 OSG Connect https://osg-htc.org/iid/nhz3r9d0308l 40.05 444 mortality his project is about the mortality of developed countries in Human Fertility Database. Shripad Tuljapurkar Stanford University Biology Biological Sciences 14 OSG Connect https://osg-htc.org/iid/keucrg5vtwtm 26 777 mwt2-staff MWT2 staff - testing and monitoring Robert William Gardner Jr University of Chicago Physics Computer Science 14 OSG Connect https://osg-htc.org/iid/o14joi278jrs 11.0701b 431 nEXO The nEXO experiment aims to search for double beta decay of Xenon-136. Raymond Tsang Pacific Northwest National Laboratory National Security Directorate High Energy Physics 14 OSG Connect https://osg-htc.org/iid/lh31n2nsjoyt 40.08 388774045 nanoHUB nanoHUB.org is the premier place for computational nanotechnology research, education, and collaboration Gerhard Klimeck Purdue University West Lafayette The Network for Computational Nanotechnology Nanoelectronics https://osg-htc.org/iid/y2m2tk3a8pp6 15.1601 182 ncidft Project Description: Density-Functional Theory (DFT) is the most successful method for the computation of quantum mechanical properties in molecules and solids. The aim of our project is to advance the DFT field by extending and improving the existing methods for modeling non-covalent interactions. Computational tasks for this project include DFT calculations on small molecules as well as periodic solids, and the use of home-made programs that implement our methodologies. Alberto Otero de la Roza National Research Council of Canada National Institute for Nanotechnology Chemistry 14 OSG Connect https://osg-htc.org/iid/nklmjlvthcfn 40.05 497 networkdist Measuring driving and walking times for very large matrices of points. James Saxon University of Chicago Harris School of Public Policy Earth Sciences 14 OSG Connect https://osg-htc.org/iid/o14joi278jrs 40.06 378 nicesims The Nice Model, is an evolutionary model for the outer Solar System which has explained many puzzling observed qualities of the Solar System. As the newly formed planets cleared debris from the young Solar System, Saturn, Uranus, and Neptune tended to scatter objects inward, while Jupiter ejected these planetesimals out of the Solar System. To conserve angular momentum through this process, Jupiter slowly migrates inward while the other giant planets move outward. When Jupiter and Saturn cross a period of orbital resonance, the entire Solar System experiences a massive instability. We will run simulations to probe the affect of such an instability on an evolving system of inner planets. Nathan Kaib University of Oklahoma Physics and Astronomy Physics and astronomy 14 OSG Connect https://osg-htc.org/iid/xvsrc4eixk2g 40.1101 527 nnmbl I will be using techniques in machine learning and AI to better characterize the transition between the many-body localized and ergodic phases of the random field Heisenberg spin chain. Numerically, this will involve generating many disorder realizations of this model and calculating their spectra, and analyzing the resulting data using neural nets. Ahmed Akhtar University of California, San Diego Physics Computational Condensed Matter Physics 14 OSG Connect https://osg-htc.org/iid/06wup3aye2t7 40.0808 416 nsides Using deep learning models to discover statistically significant drug effects using public drug surveillance datasets from the Federal Drug Administration. Nicholas Tatonetti Columbia University Biomedical Informatics Bioinformatics 14 OSG Connect https://osg-htc.org/iid/avy4x5r4jsrw 26.1103 173 numfpi We are developing a implementation of a Monte Carlo volume rendering method. The primary purpose is to impro ve the calculation of multiple scattering physics, with possible applications in computer graphics, nuclear physics, and remote s ensing. The project involves the numerical calculation of a Feynman path integral, which is what most of the computation is devot ed to, and the primary need for high throughput computing methods. Jerry Tessendorf Clemson University Computer Science Computer and Information Science and Engineering 14 OSG Connect https://osg-htc.org/iid/ricyf18amt49 11 171 oclab Immunology at OConner's lab Dave OConnor University of Wisconsin–Madison School of Medical and Public Health Medical Sciences 14 OSG Connect https://osg-htc.org/iid/fq8thqsj99zh 26 587 osg.Ceser Infrastructure Testing Frank Wuerthwein University of California, San Diego Physics Multidisciplinary 14 OSG Connect https://osg-htc.org/iid/06wup3aye2t7 30 471 panorama Performance Data Capture and Analysis for End-to-end Scientific Workflows Georgios Papadimitriou University of Southern California Computer Science Computer and Information Science and Engineering 14 OSG Connect https://osg-htc.org/iid/6edduwj65dlr 11 181 peers This is an analysis of statewide data for all students in grades K-2. The aim of the analysis is to examine the effects of peers' achievement and composition effects on individual student achievement. This analysis requires mixed-effect modeling and quantile regression. R, and qrLMM package, will be used for analysis, 19 instances of analysis (one for each quantile .05 to .95 in .05 increments) will be conducted for each grade (k, 1, and 2). Each data set is less than 1GB, but requires approximately 6gb to run. Jessica Sidler Folsom Florida State University Florida Center for Reading Research Ecological and Environmental Sciences 14 OSG Connect https://osg-htc.org/iid/0yddmgnh2xl5 13.0901 243 pipediffusion A molecular dynamics study (LAMMPS) of diffusion along the core of a screw dislocation is to be studied. Panthea Sepehrband Santa Clara University Mechanical Materials Science 14 OSG Connect https://osg-htc.org/iid/2vxlc7g64qpj 40.1001 498 plantGRN With the emergence of massively parallel sequencing, genome-wide expression data production has reached an unprecedented level. This abundance of data has greatly facilitated maize research, but may not be amenable to traditional analysis techniques that were optimized for other data types. Using publicly available data, a Gene Co-expression Network (GCN) can be constructed and used for gene function prediction, candidate gene selection and improving understanding of regulatory pathways. Several GCN studies have been done in maize, mostly using microarray datasets. To build an optimal GCN from plant materials RNA-Seq data, parameters for expression data normalization and network inference were evaluated. We previously constructed an optimized gene coexpression network for maize. In this project, we want to build gene regulatory networks for Arabidopsis, rice maize, and sorghum. Karen McGinnis Florida State University Biological Science Bioinformatics 14 OSG Connect https://osg-htc.org/iid/0yddmgnh2xl5 26.1103 316 polyHERV Fine-mapping of human endogenous retrovirus polymorphisms Gkikas Magiorkinis University of Oxford Zoology Bioinformatics 14 OSG Connect https://osg-htc.org/iid/rs6jusb08ogc 26.1103 507 polymer Investigate the thermal conductivity of polymer and polymer composites using MD simulation rajmohan muthaiah University of Oklahoma Mechanical Engineering Materials Science 14 OSG Connect https://osg-htc.org/iid/xvsrc4eixk2g 40.1001 469 popage Using FSPS estimate the age of a stellar population from its SED. This will be applied to improving SN Ia distance measurements. Benjamin Rose University of Notre Dame Physics Astrophysics 14 OSG Connect https://osg-htc.org/iid/mavkovkq2s0l 40.0202 339 poromech In order to reduce carbon dioxide emissions, experts have proposed requiring major carbon dioxide emitters to modify their infrastructure to collect carbon dioxide exhaust and compress it into a super-critical fluid for injection into a well-sealed geologic structure such as an exhausted oil or natural gas reservoir. We are therefore developing a tool to assess and monitor potential carbon capture and storage sites. We use large-scale reservoir simulations to investigate the mechanical stresses that would effect a reservoir as it is injected with super-critical carbon dioxide. Since we will not know the precise geologic structure of a given field site, this requires us to run a very large number of computationally-intensive simulations (10$^4$-10$^7$) in order to adequately investigate every possible geologic structure. These simulations can then be compared to measurements from the surface and from wells drilled into the reservoir, allowing us to identify which proposed structures best explain the data. This will allow us to infer the structure and state of the subsurface. Stephen Moysey Clemson University Environmental Engineering and Earth Sciences Ecological and Environmental Sciences 14 OSG Connect https://osg-htc.org/iid/ricyf18amt49 15.05 122 psims A framework for massively parallel climate impact simulations: the parallel System for Integrating Impact Models and Sectors (pSIMS). This framework comprises a) tools for ingesting and converting large amounts of data to a versatile datatype based on a common geospatial grid; b) tools for translating this datatype into custom formats for site-based models; c) a scalable parallel framework for performing large ensemble simulations, using any one of a number of different impacts models, on clusters, supercomputers, distributed grids, or clouds; d) tools and data standards for reformatting outputs to common datatypes for analysis and visualization; and e) methodologies for aggregating these datatypes to arbitrary spatial scales such as administrative and environmental demarcations. By automating many time-consuming and error-prone aspects of large-scale climate impacts studies, pSIMS accelerates computational research, encourages model intercomparison, and enhances reproducibility of simulation results. Joshua Elliott University of Chicago Computation Institute Earth Sciences 14 OSG Connect https://osg-htc.org/iid/o14joi278jrs 40.06 474 psychosisfmri This project will make use of fMRI data of psychotic patients in order to parse heterogeneity in functional activity across multiple diagnosis. The need for computing power results from the need to preprocess the fMRI, from which we want to obtain a region level connectivity matrix for each of the approximately 1200 subjects that will be analyzed. De Sa Nunes Correia Diogo Northeastern University College of Science Neuroscience 14 OSG Connect https://osg-htc.org/iid/454t2lfhcfpp 26.1501 567 rencinrig Project is intended to be used as a test project for a learning experience for the workflows on OSG. Mert Cevik Renaissance Computing Institute Computer Science Computer Science 14 OSG Connect https://osg-htc.org/iid/h7l0qel53a0t 11.07 524 retrovision Simulation of the retrospective Bayesian model for visual perception and working memory published in PNAS, to create a mechanistic model for the aforementioned probabilistic framework Ning Qian Columbia University Zuckerman Institute Neuroscience 14 OSG Connect https://osg-htc.org/iid/avy4x5r4jsrw 26.15 961217345 rnog The Radio Neutrino Observatory - RNO-G - at Summit Station in Greenland will search for neutrinos above PeV energies. Cosmin Deaconu University of Chicago The Radio Neutrino Observatory Greenland Astronomy and Astrophysics https://osg-htc.org/iid/o14joi278jrs 40.0804 13 sPHENIX Collaboration devoted to simulation and design optimization of the prospected Super PHENIX detector (the successor of the existing PHENIX detector) at Relativistic Heavy Ion Collider (RHIC) at BNL. Martin Purschke Brookhaven National Laboratory Physics Department Nuclear Physics 30 OSG https://osg-htc.org/iid/g29k1hhqys0y 40.0806 306575230 scdms Super Cryogenic Dark Matter Search Noah Kurinsky SLAC National Accelerator Laboratory Particle Physics High Energy Physics 14 OSG Connect https://osg-htc.org/iid/gsbt8law2xf0 40.0804 99 scicomp-analytics Development of collection, aggregation, filtering and analysis of probes and metrics as related to distributed computation on the Open Science Grid. Robert William Gardner Jr University of Chicago Computation Institute Multi-Science Community 14 OSG Connect https://osg-htc.org/iid/o14joi278jrs 30 406 selfassembly The influence of directing agents in the self-assembly of molecular wires to produce two-dimensional electronic nanoarchitectures is studied here using a Monte Carlo approach to simulate the effect of arbitrarily locating nodal points on a surface, from which the growth of self-assembled molecular wires can be nucleated. Eddie Tysoe University of Wisconsin-Milwaukee Chemistry Chemistry 14 OSG Connect https://osg-htc.org/iid/812rlsqwylrc 40.05 317 seq2fun We combine innovative high-throughput experiments with data mining approaches to identify functional regulatory elements in biological sequence, building the foundation for further experiments to map complete regulatory networks. Peter Freddolino University of Michigan Biological Chemistry Bioinformatics 14 OSG Connect https://osg-htc.org/iid/4ocf9kvq30fn 26.1103 324 snada Simulate social networks to analyze statistical properties. Wei Wang University of Central Florida Psychology Multi-Science Community 14 OSG Connect https://osg-htc.org/iid/ozb6tv0up0g3 30 450 snasim This is project is to run conditions to determine the social network factors (e.g., structure, size,density) that affect the statistical power for detecting the interaction term of contagion parameter. Wei Wang University of Central Florida Psychology Educational Psychology 14 OSG Connect https://osg-htc.org/iid/ozb6tv0up0g3 42.2806 820 spinquest SpinQuest will investigate whether the sea quarks are orbiting around the center of the nucleon by exploring the nucleon in a particular way Stephen Pate New Mexico State University Physics Physics 14 OSG Connect https://osg-htc.org/iid/zoe98r1f2ztc 40.0804 16 spt.all The South Pole Telescope (or SPT) is a new telescope deployed at the South Pole that is designed to study the Cosmic Microwave background. Constructed between November 2006 and February 2007, the SPT is the largest telescope ever deployed at the South Pole. This telescope provides astronomers a powerful new tool to explore dark energy, the mysterious phenomena that may be causing the universe to accelerate. John Carlstrom University of Chicago Kavil Institute for Cosmological Physics Astrophysics 14 OSG Connect https://osg-htc.org/iid/o14joi278jrs 40.0202 16 spt The South Pole Telescope (or SPT) is a new telescope deployed at the South Pole that is designed to study the Cosmic Microwave background. Constructed between November 2006 and February 2007, the SPT is the largest telescope ever deployed at the South Pole. This telescope provides astronomers a powerful new tool to explore dark energy, the mysterious phenomena that may be causing the universe to accelerate. John Carlstrom University of Chicago Kavil Institute for Cosmological Physics Astrophysics 14 OSG Connect https://osg-htc.org/iid/o14joi278jrs 40.0202 388 srccoding Studying coding schemes for lossy source compression under privacy constraints Joerg Kliewer New Jersey Institute of Technology Electronic Engineering Computer and Information Science and Engineering 14 OSG Connect https://osg-htc.org/iid/zhy58gsknnaw 11 533 steward Steward Observatory Data Analytics Chi-Kwan Chan University of Arizona Astronomy Astronomy 14 OSG Connect https://osg-htc.org/iid/7rjyoz6kb8vq 40.02 476 sugwg Gravitational-wave astronomy and astrophysics. Duncan Brown Syracuse University Physics Astrophysics 14 OSG Connect https://osg-htc.org/iid/mzpz26kp0f3p 40.0202 504 sweeps Running simulations using parameters sampled from large ranges Murat Acar Yale University Molecular Cellular and Developmental Biology Bioinformatics 14 OSG Connect https://osg-htc.org/iid/np1w2l1semy5 26.1103 517 swipnanobio Run Pegasus workflows (parameter sweeps + data analysis) on our nanoBIO simulation code, looking for data integrity failures. Von Welch Indiana University Center for Applied Cybersecurity Research Neuroscience 14 OSG Connect https://osg-htc.org/iid/uws6kivcttuc 26.15 411 sykclusters DMRG simulation of many body fermion system John McGreevy University of California, San Diego Physics Physics 14 OSG Connect https://osg-htc.org/iid/06wup3aye2t7 40.08 116 uchicago General use Project for the University of Chicago Robert William Gardner Jr University of Chicago Computation Institute Multi-Science Community 14 OSG Connect https://osg-htc.org/iid/o14joi278jrs 30 104 unlcpass The Comparison of Protein Active Site Structures (CPASS) database and software is used as part of our FAST-NMR assay to assign the function of a hypothetical protein or a protein of unknown function. The CPASS database and software enable the comparison of experimentally identified ligand binding sites to infer biological function and aid in drug discovery. The CPASS database is comprised of unique ligand-defined active sites identified in the Protein Data Bank, and the CPASS program compares these ligand-defined active sites to determine sequence and structural similarity without maintaining sequence connectivity, along with ligand similarity, if desired. CPASS will compare any set of ligand-defined protein active sites irrespective of the identity of the bound ligand. Adam Caprez University of Nebraska\u2013Lincoln Bioinformatics Bioinformatics 67 HCC https://osg-htc.org/iid/q9k1b8dfrw25 26.1103 107 velev Electronic structure of solids. Electron and spin transport in nanoscale devices. Julian Velev University of Puerto Rico Physics Computational Condensed Matter Physics 14 OSG Connect https://osg-htc.org/iid/43gwnkrodhv9 40.0808 687 wrench WRENCH: Workflow Management System Simulation Workbench Rafael Ferreira Da Silva University of Southern California ISI Computer and Information Science and Engineering 9 ISI https://osg-htc.org/iid/6edduwj65dlr 11 441118516 xenon The XENON Dark Matter Experiment located at the Gran Sasso Laboratories (INFN, Italy), is currently the leader world project searching for the so called Dark Matter, something which is completely different from ordinary matter. This Dark Matter is not (as the name hints) visible, but it should pervade the entire Universe. Its presence has been confirmed by different experimental evidences, however its intrinsic nature is one of the big puzzle of Modern Physics. The XENON Experiment could reveal the nature of the DM looking at the possible interactions of the DM with ordinary matter, for instance with the Xenon, a noble gas been liquified at very low temperature. The study of the background signal, from the environment and from the materials that make up the new detector containing the Xenon, is essential to understand the detector's behavior and its implications on its performances. Luca Grandi University of Chicago Physics Astrophysics https://osg-htc.org/iid/o14joi278jrs 40.0202 179 xenon1t The XENON Dark Matter Experiment located at the Gran Sasso Laboratories (INFN, Italy), is currently the leader world project searching for the so called Dark Matter, something which is completely different from ordinary matter. This Dark Matter is not (as the name hints) visible, but it should pervade the entire Universe. Its presence has been confirmed by different experimental evidences, however its intrinsic nature is one of the big puzzle of Modern Physics. The XENON Experiment could reveal the nature of the DM looking at the possible interactions of the DM with ordinary matter, for instance with the Xenon, a noble gas been liquified at very low temperature. The study of the background signal, from the environment and from the materials that make up the new detector containing the Xenon (which is currently under construction and called XENON1T), is essential to understand the detector's behavior and its implications on its performances. For this purpose an extensive Montecarlo simulation and study is needed, and this require quite a lot of CPU time. The MC simulation of the XENON experiment is based on the open source codes called GEANT4 and ROOT. Luca Grandi University of Chicago Physics Astrophysics 14 OSG Connect XRAC UChicago_OSGConnect_login05 SDSC-Expanse chi135 https://osg-htc.org/iid/o14joi278jrs 40.0202 304 z2dqmc We study Z2 lattice gauge theory coupled to fermonic matter fields. The problem can be studied using sign problem free quantum Monte Carlo allowing a numerically unbiased computation. Snir Gazit University of California, Berkeley Physics Physics 14 OSG Connect https://osg-htc.org/iid/7rhak0ujmsoe 40.08 1057167311 CUBoulder_Rolf Development of foundation models for earth observation. Esther Rolf University of Colorado Boulder Computer Science Computer Science https://osg-htc.org/iid/gpeckuwpdnrs 11.0102 141750347 UTC_Wang My group develops reliable, data-efficient, and physics-grounded generative machine learning methods for imaging and computational anatomy, with a focus on robust image reconstruction and analysis under domain shift. We use HPC workflows to train and validate these models at scale for clinically relevant imaging tasks. Zihao Wang University of Tennessee at Chattanooga Computer Science and Engineering Computer Science https://osg-htc.org/iid/4e79d27c93p7 11.0701 1323529064 PoliSci_Kim Kim’s research concerns media and politics in the age of data-driven digital media, specifically the role digital media play in political communication among political leaders, non-party groups (issue advocacy groups), and citizens. Young Mie Kim University of Wisconsin–Madison Political Science Multidisciplinary https://osg-htc.org/iid/fq8thqsj99zh 09.0904 1702699611 CSUChico_Wenger The physical conditions of the interstellar medium - the stuff between the stars - are revealed through spectroscopic observations. Probabilistic models are a novel technique to infer these conditions from observations. This project uses high throughput computing to fit bayes_spec (https://joss.theoj.org/papers/10.21105/joss.07201) probabilistic models to a variety of simulated and real datasets. Trey Wenger California State University, Chico Physics Astronomy https://osg-htc.org/iid/byvwrmby4l7e 40.0201 1026174486 UWMadison_Physics_Otten The Otten Lab’s goal is to accelerate the realization of useful, utility-scale quantum computers, networks, and sensors. We develop, analyze, and test quantum algorithms for applications in quantum chemistry, quantum dynamics, and quantum machine learning. Our team also focuses on creating and implementing quantum characterization, verification, and validation (QCVV) methods to understand and mitigate inevitable errors. Matthew Otten University of Wisconsin–Madison Department of Physics Physics https://osg-htc.org/iid/fq8thqsj99zh 40.0899 1870474302 IBio_Ragsdale Our research aims to understand how evolutionary forces are expected to shape genetic diversity within populations, and then uses this understanding to learn about demographic and selective histories and processes from genome sequencing data. Aaron Ragsdale University of Wisconsin–Madison Department of Integrative Biology Biological Sciences https://osg-htc.org/iid/fq8thqsj99zh 26.1303 1992591351 NJDOH_Ostrow Using COVID wastewater data to try to predict what characteristics of covid communities can predict spikes in viral activity. Initially, need to process thousands of sequence samples of COVID Emily Ostrow New Jersey Department of Health Department of Health Biological and Biomedical Sciences https://osg-htc.org/iid/re4s0wkt8cn2 51.2214 290244736 OSG_NAIRR2026 NAIRR 2026 Annual Meeting Tutorial Title: Training Ensembles Across NAIRR Resources Ian Ross, University of Wisconsin–Madison Danny Morales, University of Wisconsin–Madison Modern AI research requires training ensembles of models: hyperparameter optimization explores multiple configurations, cross-validation needs models trained on different data splits, and multiple models can be combined for better predictions. The traditional approach of training an ensemble of models sequentially is time-consuming and lengthens the time-to-insight. This tutorial demonstrates a throughput oriented approach: plan once, then distribute your ensemble training across all available resources simultaneously. This hands-on tutorial teaches you how to leverage services provided by the Partnership to Advance Throughput Computing (PATh) to train ensembles of machine learning models across the NAIRR resources. After planning and running the first training, scaling to dozens of models requires minimal additional effort. https://events.internet2.edu/website/89730/tutorials/ Ian Ross University of Wisconsin–Madison CHTC Computer Science https://osg-htc.org/iid/fq8thqsj99zh 11.0101 1587274294 Physics_Cranmer High-energy experimental particle physics, machine learning for the physical sciences, statistical inference, data science Kyle Cranmer University of Wisconsin–Madison Physics Particle Physics https://osg-htc.org/iid/fq8thqsj99zh 40.0804 292470003 UARK_Kennefick We are running codes to model gravitational waves from sources relevant to the LISA mission (Laser Interferometer Space Antenna), specifically from extreme-mass ratio (EMRI) black hole binaries and coincident galactic binaries (especially white dwarf binaries in the Milky Way). The EMRI code aims to provide detailed information for ultimate use in LISA Data Analysis. The Galactic Binary aspect of the project aims to develop ways to deal with confusion between similar signals that occur at the same time and are visible simultaneously by the LISA detector. Daniel Kennefick University of Arkansas at Fayetteville Physics Astronomy https://osg-htc.org/iid/78b3lgmajszi 40.0201 981440530 GATech_Lin The Emory Proton Therapy Center has previously developed a treatment planning simulation code that simultaneously optimizes dose, dose-averaged dose rate, and Linear Energy Transfer (LET) for a pin-and-bar collimator. This project aims to accelerate this simulation through the use of GPU-based simulation code and through training a diffusion model for treatment plan generation. Liyong Lin Georgia Institute of Technology Nuclear & Radiological Engineering and Medical Physics Physics https://osg-htc.org/iid/uvf22j6xjbtv 40.0899