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Predicting materials properties without crystal structure: deep representation learning from stoichiometry

Machine learning has the potential to accelerate materials discovery by accurately predicting materials properties at a low computational cost. However, the model inputs remain a key stumbling block. Current methods typically use descriptors constructed from knowledge of either the full crystal stru...

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Detalles Bibliográficos
Autores principales: Goodall, Rhys E. A., Lee, Alpha A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7722901/
https://www.ncbi.nlm.nih.gov/pubmed/33293567
http://dx.doi.org/10.1038/s41467-020-19964-7