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

Predicting the structure of unknown materials’ compositions represents a challenge for high-throughput computational approaches. Here the authors introduce a new stoichiometry-based machine learning approach for predicting the properties of inorganic materials from their elemental compositions.

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Detalles Bibliográficos
Autores principales:	Rhys E. A. Goodall, Alpha A. Lee
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2020
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/cb261c1294be401abf3c4d88070efdba
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id	oai:doaj.org-article:cb261c1294be401abf3c4d88070efdba
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spelling	oai:doaj.org-article:cb261c1294be401abf3c4d88070efdba2021-12-02T10:48:00ZPredicting materials properties without crystal structure: deep representation learning from stoichiometry10.1038/s41467-020-19964-72041-1723https://doaj.org/article/cb261c1294be401abf3c4d88070efdba2020-12-01T00:00:00Zhttps://doi.org/10.1038/s41467-020-19964-7https://doaj.org/toc/2041-1723Predicting the structure of unknown materials’ compositions represents a challenge for high-throughput computational approaches. Here the authors introduce a new stoichiometry-based machine learning approach for predicting the properties of inorganic materials from their elemental compositions.Rhys E. A. GoodallAlpha A. LeeNature PortfolioarticleScienceQENNature Communications, Vol 11, Iss 1, Pp 1-9 (2020)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Rhys E. A. Goodall Alpha A. Lee Predicting materials properties without crystal structure: deep representation learning from stoichiometry
description	Predicting the structure of unknown materials’ compositions represents a challenge for high-throughput computational approaches. Here the authors introduce a new stoichiometry-based machine learning approach for predicting the properties of inorganic materials from their elemental compositions.
format	article
author	Rhys E. A. Goodall Alpha A. Lee
author_facet	Rhys E. A. Goodall Alpha A. Lee
author_sort	Rhys E. A. Goodall
title	Predicting materials properties without crystal structure: deep representation learning from stoichiometry
title_short	Predicting materials properties without crystal structure: deep representation learning from stoichiometry
title_full	Predicting materials properties without crystal structure: deep representation learning from stoichiometry
title_fullStr	Predicting materials properties without crystal structure: deep representation learning from stoichiometry
title_full_unstemmed	Predicting materials properties without crystal structure: deep representation learning from stoichiometry
title_sort	predicting materials properties without crystal structure: deep representation learning from stoichiometry
publisher	Nature Portfolio
publishDate	2020
url	https://doaj.org/article/cb261c1294be401abf3c4d88070efdba
work_keys_str_mv	AT rhyseagoodall predictingmaterialspropertieswithoutcrystalstructuredeeprepresentationlearningfromstoichiometry AT alphaalee predictingmaterialspropertieswithoutcrystalstructuredeeprepresentationlearningfromstoichiometry
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Predicting materials properties without crystal structure: deep representation learning from stoichiometry

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