Data-guided Multi-Map variables for ensemble refinement of molecular movies... Journal December, 2020
Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19... Journal December, 2020
Tuning Fermi Levels in Intrinsic Antiferromagnetic Topological Insulators MnBi 2 Te 4 and MnBi 4 Te 7 by Defect Engineering a... Journal October, 2020
thornado-transport: Anderson- and GPU-accelerated nonlinear solvers for neutrino-matter coupling... Conference Paper September, 2020
GPU-Accelerated Drug Discovery with Docking on the Summit Supercomputer: Porting, Optimization, and Application to COVID-19 R... Conference Paper September, 2020