Performance assessment of high-throughput Gibbs free energy predictions of crystalline solids

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Authors: Rasmus Fromsejer, Bjørn Maribo-Mogensen, Georgios M. Kontogeorgis, Xiaodong Liang

Journal title: Computational Materials Science

Journal number: 252

Journal publisher: Elsevier BV

Published year: 2025

Published pages: 113770

DOI identifier: 10.1016/j.commatsci.2025.113770

ISSN: 0927-0256