Multi-GPU RI-HF Energies and Analytic Gradients─Toward High-Throughput Ab Initio Molecular Dynamics

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Stocks, Ryan (ORCID:0000000306549670), Palethorpe, Elise (ORCID:0009000908147158), Barca, Giuseppe. 2024-08-28. Multi-GPU RI-HF Energies and Analytic Gradients─Toward High-Throughput Ab Initio Molecular Dynamics. https://doi.org/10.1021/acs.jctc.4c00877

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