Breaking the Million-Electron and 1 EFLOP/s Barriers: Biomolecular-Scale Ab Initio Molecular Dynamics Using MP2 Potentials

Fuente: arXiv

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Bibliographic Details
Main Authors:	Stocks, Ryan, Vallejo, Jorge L. Galvez, Yu, Fiona C. Y., Snowdon, Calum, Palethorpe, Elise, Kurzak, Jakub, Bykov, Dmytro, Barca, Giuseppe M. J.
Format:	Preprint
Published:	2024
Subjects:	Chemical Physics Distributed, Parallel, and Cluster Computing Computational Physics
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2410.21888