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Efficient theoretical methods for the structural analysis of nanoparticles are very much needed. Here the authors demonstrate the use of machine-learning force fields and of a data-driven approach to study the thermodynamical stability and elucidate the melting process of gold nanoparticles.
Sara Bonella, Andrea Cavalli, Taylor James Baird
Philippe Schwaller, Oliver Tobias Schilter
Karen Scrivener, Paul Bowen, Ziga Casar