Cargando…

Representing individual electronic states for machine learning GW band structures of 2D materials

Choosing optimal representation methods of atomic and electronic structures is essential when machine learning properties of materials. We address the problem of representing quantum states of electrons in a solid for the purpose of machine leaning state-specific electronic properties. Specifically,...

Descripción completa

Detalles Bibliográficos
Autores principales: Knøsgaard, Nikolaj Rørbæk, Thygesen, Kristian Sommer
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8813923/
https://www.ncbi.nlm.nih.gov/pubmed/35115510
http://dx.doi.org/10.1038/s41467-022-28122-0