Computational Characterization and Boundary Condition Models of a Jet Interaction Fluidic Oscillator Journal June, 2021
Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease Journal January, 2021
Performance Analysis of PIConGPU: Particle-in-Cell on GPUs using NVIDIA’s NSight Systems and NSight Compute ORNL Report January, 2021
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
