Development of the Quantum Inspired SIBFA Many-Body Polarizable Force Field: Enabling Condensed Phase Molecular Dynamics Simulations

Summary

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Authors: Sehr Naseem-Khan; Louis Lagardère; Christophe Narth; G. Andrés Cisneros; Pengyu Ren; Nohad Gresh; Jean-Philip Piquemal

Journal title: 18, 6, 3607–3621 Article associé dans chemistry news

Journal publisher: Chemistry News

Published year: 2022

DOI identifier: 10.48550/arxiv.2201.00804