6 citations · 6 across the 2 of their papers we have counts for
2 papers
physics.comp-ph2024
Hybrid programming-model strategies for GPU offloading of electronic structure calculation kernels
Jean-Luc Fattebert, Christian F. A. Negre, Joshua Finkelstein +6
To address the challenge of performance portability, and facilitate the implementation of electronic structure solvers, we developed the Basic Matrix Library (BML) and Parallel, Ra…
q-bio.BM2023★ 6 cited
Structure-Based Experimental Datasets for Benchmarking Protein Simulation Force Fields
Chapin E. Cavender, David A. Case, Julian C. -H. Chen +11
This review article provides an overview of structurally oriented experimental datasets that can be used to benchmark protein force fields, focusing on data generated by nuclear ma…