Alloy informatics through ab initio charge density profiles: Case study of hydrogen effects in face-centred cubic crystals
Publication information:
Massa D, Kaxiras E, Papanikolaou S. Alloy informatics through ab initio charge density profiles: Case study of hydrogen effects in face-centred cubic crystals. Acta Materialia. 2024;268:119773. doi:https://doi.org/10.1016/j.actamat.2024.119773