High-Performance Multi-GPU Analytic RI-MP2 Energy Gradients
Author:
Affiliation:
1. School of Computing, Australian National University, Canberra, ACT 2601, Australia
Funder
Pawsey Centre for Extreme Scale Readiness
Publisher
American Chemical Society (ACS)
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c01424
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