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COVID-19 Project Utilization

Project Number of Jobs Run To-Date Node Hours Used To-Date Number of Jobs Running Now Nodes in Use Now
Accelerating COVID-19 drug discovery through leadership-scale graph neural net machine learning
PI: Thomas Miller, Entos, Inc.
135 440 0 0
Cleveland Clinic COVID-19 Computational Science Projects Requiring Additional Compute Needs
PI: Feixiong Cheng, Cleveland Clinic
161 42,353 0 0
Computational Systems Biology for Viral Detection and Classification of Emerging Infections and Rapid Identification of Causal Agents and Mechanisms
PI: Daniel Jacobson, Oak Ridge National Laboratory (ORNL)
7,522 272,808 1 1
COVID research
PI: Bobby Sumpter, Oak Ridge National Laboratory (ORNL)
43 3,270 0 0
COVID-19: Molecular Simulations and Underexplored Drug Targets
PI: Jason Crain, International Business Machines Corporation (IBM)
542 4,540 0 0
COVID-19: Submodular Optimization & Graph Clustering Approaches for Designing Effective Vaccination Strategies
PI: Mahantesh Halappanavar, Pacific Northwest National Laboratory
159 1,751 0 0
Determining The Contribution of Glycosylation To SARS-CoV-2 S-protein Conformational Dynamics
PI: James Gumbart, Georgia Institute of Technology
3,540 161,120 0 0
Dissecting inhibitor impacts on viral RNA polymerase and fidelity control of RNA synthesis in SARS-CoV-2
PI: Jin Yu, University of California - Irvine
757 6,963 0 0
Drug Discovery for COVID-19
PI: Jeremy Smith, University of Tennessee
10,292 627,167 1 16
Forecasting COVID-19 Infections across the US
PI: Jesse Piburn, Oak Ridge National Laboratory (ORNL)
0 0 0 0
Molecular Simulations of Complexes of SARS-CoV Spike Proteins with Human Receptor ACE2
PI: Sameer Varma, University of South Florida
5,088 15,157 0 0
Multiscale Modeling of SARS-CoV-2 Virion and Structural Proteins
PI: Gregory Voth, University of Chicago
924 29,471 0 0
Pandemic Modeling for COVID-19
PI: Byung Park, Oak Ridge National Laboratory (ORNL)
68 248 0 0
Physical Models of COVID-19 Related Proteins
PI: Ken Dill, State University of New York at Stony Brook
703 50,481 0 0
Prediction of Synergistic Drug Combinations for Treatment of COVID-19
PI: Jennifer Diaz, Icahn School of Medicine at Mount Sinai
384 1,989 0 0
Rapid Drug Discovery for COVID19 - Application to Human Targets
PI: Rangaprasad Sarangarajan, BERG LLC
276 7,526 0 0
Simulating the Transmission and Dispersion of Aerosol in Turbulent Flows
PI: Ramesh Balakrishnan, Argonne National Laboratory
1 1 0 0
Simulation of Full-scale, Membrane-Bound SARS-CoV2 Spike Proteins in Crowded Viral Envelope
PI: Karan Kapoor, University of Illinois at Urbana-Champaign
268 52,224 0 0
Structural Modeling of COVID-19 with HP
PI: Debsindhu Bhowmik, Oak Ridge National Laboratory (ORNL)
4,343 120,871 0 0
Targeting the SARS-CoV-2 Proteome with Artificial Intelligence (AI) Driven Small Molecule Design and Screening
PI: Rick Stevens, Argonne National Laboratory
4,357 390,595 0 0
Using MD and QM/MM to improve drug candidates for nCoV-19 targets
PI: Gerardo Cisneros, University of North Texas
794 35,475 0 0
40,357 1,824,448 2 17

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OLCF News

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People

OLCF Researchers, Staff, Recognized on UT-Battelle Awards Night

Distinctions were presented for technical support, COVID work, and outreach efforts

Technology

Data Matters: Scientific Data Management Tool Improves Labeling, Information Sharing for OLCF Researchers

DataFed, an ORNL-developed platform, allows for domain-specific metadata customization that fits the needs of complex research collaboration networks

Technology

OLCF to Trial Long-Awaited Fujitsu Processors in Arm-Based Test Bed System

The center’s Wombat system now features the same processors used in the world-leading Fugaku system

Technology

OLCF Launches New User Portal, myOLCF

New site features additional functionality, more administrative control