A combined on-the-fly/interpolation procedure for evaluating energy values needed in molecular simulations

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Authors: Konstantin Karandashev, Jiří Vaníček

Journal title: The Journal of Chemical Physics

Journal number: 151/17

Journal publisher: American Institute of Physics

Published year: 2019

Published pages: 174116

DOI identifier: 10.1063/1.5124469

ISSN: 0021-9606