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Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory
Vitale, Valerio, Dziedzic, Jacek, Albaugh, Alex, Niklasson, Anders M. N., Head-Gordon, Teresa, Skylaris, Chris-KritonVolume:
146
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.4978684
Date:
March, 2017
File:
PDF, 3.84 MB
english, 2017