SC24: International Conference for High Performance Computing, Networking, Storage and Analysis 2024
DOI: 10.1109/sc41406.2024.00015
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Breaking the Million-Electron and 1 EFLOP/s Barriers: Biomolecular-Scale Ab Initio Molecular Dynamics Using MP2 Potentials

Ryan Stocks,
Jorge L. Galvez Vallejo,
Fiona C. Y. Yu
et al.
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