Performance Portability of Molecular Docking Miniapp On Leadership Computing Platforms Conference Paper January, 2021
Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19 Journal December, 2020
Spatial core-edge coupling of the particle-in-cell gyrokinetic codes GEM and XGC Journal December, 2020
Parton Distribution Functions from Ioffe Time Pseudodistributions from Lattice Calculations: Approaching the Physical Point Journal December, 2020
GPU-Accelerated Drug Discovery with Docking on the Summit Supercomputer: Porting, Optimization, and Application to COVID-19 R... Conference Paper September, 2020
Assessing Terrestrial Biogeochemical Feedbacks in A Strategically Geoengineered Climate Journal September, 2020
Global gyrokinetic particle simulations of microturbulence in W7-X and LHD stellarators Journal August, 2020
