i-PI 3.0: A flexible and efficient framework for advanced atomistic simulations

Summary

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Authors: Yair Litman, Venkat Kapil, Yotam M. Y. Feldman, Davide Tisi, Tomislav Begušić, Karen Fidanyan, Guillaume Fraux, Jacob Higer, Matthias Kellner, Tao E. Li, Eszter S. Pós, Elia Stocco, George Trenins, Barak Hirshberg, Mariana Rossi, Michele Ceriotti

Journal title: The Journal of Chemical Physics

Journal number: 161

Journal publisher: American Institute of Physics

Published year: 2024

DOI identifier: 10.1063/5.0215869

ISSN: 0021-9606