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, Calum Snowdon, Elise Palethorpe, Jakub Kurzak, Dmytro Bykov, Giuseppe M. J. Barca

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