Grand-canonical molecular dynamics simulations powered by a hybrid 4D nonequilibrium MD/MC method: Implementation in LAMMPS and applications to electrolyte solutions

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Authors: Jeongmin Kim, Luc Belloni, Benjamin Rotenberg

Journal title: The Journal of Chemical Physics

Journal publisher: American Institute of Physics

Published year: 2023

DOI identifier: 10.1063/5.0168878

ISSN: 0021-9606