Neural-network-backed evolutionary search for SrTiO(3)(110) surface reconstructions

The determination of atomic structures in surface reconstructions has typically relied on structural models derived from intuition and domain knowledge. Evolutionary algorithms have emerged as powerful tools for such structure searches. However, when density functional theory is used to evaluate the...

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Detalles Bibliográficos
Autores principales: Wanzenböck, Ralf, Arrigoni, Marco, Bichelmaier, Sebastian, Buchner, Florian, Carrete, Jesús, Madsen, Georg K. H.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: RSC 2022
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9549766/
https://www.ncbi.nlm.nih.gov/pubmed/36324606
http://dx.doi.org/10.1039/d2dd00072e

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9549766/
https://www.ncbi.nlm.nih.gov/pubmed/36324606
http://dx.doi.org/10.1039/d2dd00072e

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