Comparison of permutationally invariant polynomials, neural networks, and Gaussian approximation potentials in representing water interactions through many-body expansions

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Authors: Thuong T. Nguyen, Eszter Székely, Giulio Imbalzano, Jörg Behler, Gábor Csányi, Michele Ceriotti, Andreas W. Götz, Francesco Paesani

Journal title: The Journal of Chemical Physics

Journal number: 148/24

Journal publisher: American Institute of Physics

Published year: 2018

Published pages: 241725

DOI identifier: 10.1063/1.5024577

ISSN: 0021-9606