OpenMDlr: Parallel, open-source tools for general protein structure modeling and refinement from pairwise distances... Journal May, 2022
Multi-task graph neural networks for simultaneous prediction of global and atomic properties in ferromagnetic systems... Journal May, 2022
Modeling pre-Exascale AMR Parallel I/O Workloads via Proxy Applications... Conference Paper May, 2022
Portability for GPU-accelerated molecular docking applications for cloud and HPC: can portable compiler directives provide pe... Conference Paper May, 2022
Approaching the Final Frontier: Lessons Learned from the Deployment of HPE/Cray EX Spock and Crusher supercomputers... Conference Paper May, 2022
Strategies for Integrating Deep Learning Surrogate Models with HPC Simulation Applications... Conference Paper May, 2022
Proteome-scale Deployment of Protein Structure Prediction Workflows on the Summit Supercomputer... Conference Paper May, 2022
Parallel Simulated Annealing with Embedded Machine Learning and Multifidelity Models for Reactor Core Design... Conference Paper May, 2022
Dark Energy Survey Year 3 Results: Three-point shear correlations and mass aperture moments Journal May, 2022