Performance Portability of Molecular Docking Miniapp On Leadership Computing Platforms... Conference Paper January, 2021
Quantum Solvers for Plane-Wave Hamiltonians: Abridging Virtual Spaces Through the Optimization of Pairwise Correlations... Journal January, 2021
Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19... Journal December, 2020
PLEXUS: A Pattern-Oriented Runtime System Architecture for Resilient Extreme-Scale High-Performance Computing Systems... Conference Paper December, 2020