Performance of extended Lagrangian schemes for molecular...

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-Kriton
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Volume:
146
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.4978684
Date:
March, 2017
File:
PDF, 3.84 MB
english, 2017
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