Neural Network Quantum Molecular Dynamics, Intermediate Range Order in GeSe2, and Neutron Scattering Experiments Publications The Journal of Physical Chemistry Letters
Dielectric Constant of Liquid Water Determined with Neural Network Quantum Molecular Dynamics Publications Physical Review Letters
Nuclear Resonances, Scattering, and Reactions from First Principles: Progress and Prospects Publications Nuclear Physics News
Understanding Bias in Lossy Compression: Statistical Investigation of ZFP Compression Events 12/01/2021
TIES 20: Relative Binding Free Energy with a Flexible Superimposition Algorithm and Partial Ring Morphing Publications Journal of Chemical Theory and Computation
Scalable HPC & AI infrastructure for COVID-19 therapeutics Publications PASC '21: Proceedings of the Platform for Advanced Scientific Computing Conference
