Running Ensemble Workflows at Extreme Scale: Lessons Learned and Path Forward Conference Paper October, 2022
Toward designing effective exascale scientific computing workflows: experiences and best practices... Conference Paper October, 2022
EFFECTS OF MECHANICAL RECYCLING ON CARBON FIBER-BASED HYBRID COMPOSITES... Conference Paper October, 2022
HPC Molecular Simulation Tries Out a New GPU: Experiences on Early AMD Test Systems for the Frontier Supercomputer... Conference Paper June, 2022
Portability for GPU-accelerated molecular docking applications for cloud and HPC: can portable compiler directives provide pe... Conference Paper May, 2022
Spatial Graph Attention and Curiosity-driven Policy for Antiviral Drug Discovery... Conference Paper May, 2022
Proteome-scale Deployment of Protein Structure Prediction Workflows on the Summit Supercomputer... May, 2022