DOI10.1016/j.cpc.2020.107301WikidataQ125622475 ScholiaQ125622475MaRDI QIDQ6040770
François Bottin, Jordan Bieder, Johann Bouchet
Publication date: 22 May 2023 Published in: Computer Physics Communications (Search for Journal in Brave)
zbMATH Keywords
thermodynamics; anharmonicity; molecular dynamics; phonons; ab initio
Mathematics Subject Classification ID
74-XX: Mechanics of deformable solids
82-XX: Statistical mechanics, structure of matter
