A Survey on Sustainable Software Ecosystems to Support Experimental and Observational Science at Oak Ridge National Laborator... June, 2022
HPC Molecular Simulation Tries Out a New GPU: Experiences on Early AMD Test Systems for the Frontier Supercomputer... June, 2022
OpenMDlr: Parallel, open-source tools for general protein structure modeling and refinement from pairwise distances... Journal: Bioinformatics May, 2022
Portability for GPU-accelerated molecular docking applications for cloud and HPC: can portable compiler directives provide pe... May, 2022