QuaSiMo: A Composable Library to Program Hybrid Workflows for Quantum Simulation Journal October, 2021
Expanding manganese(IV) aqueous chemistry: unusually stable water-soluble hexahydrazide clathrochelate complexes Journal October, 2021
Free Energies of Hydrated Halide Anions: High Through-Put Computations on Clusters to Treat Rough Energy-Landscapes Journal May, 2021
Molecular basis for higher affinity of SARS-CoV-2 spike RBD for human ACE2 receptor Journal April, 2021
