Alloy informatics through ab initio charge density profiles: Case study of hydrogen effects in face-centred cubic crystals

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Authors: Dario Massa, Efthimios Kaxiras, Stefanos Papanikolaou

Journal title: Acta Materialia

Journal number: 268

Journal publisher: Elsevier BV

Published year: 2024

Published pages: 119773

DOI identifier: 10.1016/j.actamat.2024.119773

ISSN: 1359-6454