Performance Analysis of PIConGPU: Particle-in-Cell on GPUs using NVIDIA’s NSight Systems and NSight Compute ORNL Report January, 2021
Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease Journal January, 2021
Performance Portability of Molecular Docking Miniapp On Leadership Computing Platforms Conference Paper January, 2021
