On July 3, 2024, the U.S. Department of Energy’s (DOE) Advanced Scientific Computing Research (ASCR) Leadership Computing Challenge (ALCC) granted supercomputing time at the Argonne Leadership Computing Facility (ALCF) to 16 research projects. These projects aim to make advancements in various fields, including quantum chemistry, clean energy technologies, and artificial intelligence (AI) for science.
The ALCC program, managed by the ASCR, selects projects annually to further the DOE’s mission science and expand the community of researchers utilizing leadership computing resources. The program allocates computational resources at ASCR’s supercomputing facilities, which include the ALCF, Oak Ridge Leadership Computing Facility (OLCF), and the National Energy Research Scientific Computing Center (NERSC). These facilities are user facilities under the DOE Office of Science.
The 16 projects awarded time on the ALCF’s Aurora and Polaris systems are listed below. Some projects also received additional computing time at OLCF and/or NERSC. The one-year awards began on July 1.
1. Thomas Blum from the University of Connecticut was granted computing time on Aurora for “Hadrionic Contributions to the Muon g-2 from Lattice QCD.”
2. Margaret Cheung from Pacific Northwest National Laboratory received computing time on Aurora and Polaris for “Building Digital Twin of a Model Host-Pathogen System for Enhancing Biopreparedness.”
3. Som Dutta from Utah State University received computing time on Aurora and Polaris for “DNS of Buoyancy-Driven Flows for Developing NN-Informed High-Fidelity Turbulence Closures.”
4. Mark Gordon from Ames National Laboratory received computing time on Aurora for “Highly Scalable Ab-Initio Simulations of N-Doped Porous Materials for Carbon Capture.”
5. Ore Gottlieb from Flatiron Institute received computing time on Aurora for “Simulating Large-Scale Long-Lived Neutron Star Remnants from Binary Neutron Star Mergers.”
6. Allan Grosvenor from MSBAI received computing time on Aurora for “Autonomy for DOE Simulations.”
7. Felipe Jornada from Stanford University received computing time on Aurora for “Predicting Heterogeneous Photocatalysts Using Large-Scale Ab Initio Calculations.”
8. Taehun Lee from City University of New York received computing time on Polaris for “High-Fidelity Simulations of Helium-Air Mixing in High-Temperature Gas Reactor Cavities.”
9. Xiaoyi Lu from University of California, Merced received computing time on Aurora and Polaris for “Scalable and Resilient Modeling for Federated Learning Systems and Applications.”
10. Daniel Mejia Rodriguez from Pacific Northwest National Laboratory received computing time on Aurora for “Exploring Exascale Quantum Chemical Methods for Transition Metal Chemistry.”
11. Misun Min from Argonne National Laboratory received computing time on Aurora and Polaris for “Exascale Computing for Energy Applications.”
12. Ivan Oleynik from the University of South Florida received computing time on Aurora for “High Energy Density Physics of Novel Inertial Fusion Energy Ablator Materials.”
13. Robert Rudd from Lawrence Livermore National Laboratory received computing time on Polaris for “Machine Learning-Enabled Atomistic Simulation of Iron at Extreme Pressure.”
14. Dillon Shaver from Argonne National Laboratory received computing time on Aurora and Polaris for “High-Fidelity CFD Enabling Advanced Nuclear Power.”
15. Shinjae Yoo from Brookhaven National Laboratory received computing time on Aurora and Polaris for “Foundation Neuroscience AI Model-NeuroX.”
16. Yiqi Yu from Argonne National Laboratory received computing time on Polaris for “High-Fidelity Numerical Analysis on Flow and Heat Transfer Behavior in Involute Plate Research Reactor to Support the Conversion Program.”
These projects will run on the ALCF’s Aurora and Polaris systems, with some projects also receiving additional computing time at OLCF and/or NERSC. The one-year awards commenced on July 1, 2024.
