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... Conference Paper May, 2022
Performance Potential of Mixed Data Management Modes for Heterogeneous Memory Systems... Conference Paper November, 2020
Using a Genetic Algorithm to Optimize Configurations in a Data-Driven Application... Conference Paper September, 2020
GPU-Accelerated Drug Discovery with Docking on the Summit Supercomputer: Porting, Optimization, and Application to COVID-19 R... Conference Paper September, 2020