Tinker-HP: Accelerating Molecular Dynamics Simulations of Large Complex Systems with Advanced Point Dipole Polarizable Force Fields Using GPUs and Multi-GPU Systems

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Authors: Olivier Adjoua, Louis Lagardère, Luc-Henri Jolly, Arnaud Durocher, Thibaut Very, Isabelle Dupays, Zhi Wang, Théo Jaffrelot Inizan, Frédéric Célerse, Pengyu Ren, Jay W. Ponder, Jean-Philip Piquemal

Journal title: Journal of Chemical Theory and Computation

Journal number: 17/4

Journal publisher: American Chemical Society

Published year: 2021

Published pages: 2034-2053

DOI identifier: 10.1021/acs.jctc.0c01164

ISSN: 1549-9618