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
IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads Publications ICPP 2021: 50th International Conference on Parallel Processing
Structure-based protein function prediction using graph convolutional networks Publications Nature Communications
