TY - RPRT TI - Multi-GPU RI-HF Energies and Analytic Gradients─Toward High-Throughput Ab Initio Molecular Dynamics AU - Stocks, Ryan (ORCID:0000000306549670) AU - Palethorpe, Elise (ORCID:0009000908147158) AU - Barca, Giuseppe PY - 2024 DO - 10.1021/acs.jctc.4c00877 UR - https://www.osti.gov/biblio/2581497 ID - 2581497 ER -