A fully automated approach to calculate the melting temperature of elemental crystals

Summary

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Authors: Li-Fang Zhu, Jan Janssen, Shoji Ishibashi, Fritz Körmann, Blazej Grabowski, Jörg Neugebauer

Journal title: Computational Materials Science

Journal number: 187

Journal publisher: Elsevier BV

Published year: 2021

Published pages: 110065

DOI identifier: 10.1016/j.commatsci.2020.110065

ISSN: 0927-0256