Insightful classification of crystal structures using deep learning

Classifying crystal structures using their space group is important to understand material properties, but the process currently requires user input. Here, the authors use machine learning to automatically classify more than 100,000 simulated perfect and defective crystal structures.

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Detalles Bibliográficos
Autores principales:	Angelo Ziletti, Devinder Kumar, Matthias Scheffler, Luca M. Ghiringhelli
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2018
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/fdc2ae7369674905b86a4eaab4c29eff
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id	oai:doaj.org-article:fdc2ae7369674905b86a4eaab4c29eff
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spelling	oai:doaj.org-article:fdc2ae7369674905b86a4eaab4c29eff2021-12-02T15:33:55ZInsightful classification of crystal structures using deep learning10.1038/s41467-018-05169-62041-1723https://doaj.org/article/fdc2ae7369674905b86a4eaab4c29eff2018-07-01T00:00:00Zhttps://doi.org/10.1038/s41467-018-05169-6https://doaj.org/toc/2041-1723Classifying crystal structures using their space group is important to understand material properties, but the process currently requires user input. Here, the authors use machine learning to automatically classify more than 100,000 simulated perfect and defective crystal structures.Angelo ZilettiDevinder KumarMatthias SchefflerLuca M. GhiringhelliNature PortfolioarticleScienceQENNature Communications, Vol 9, Iss 1, Pp 1-10 (2018)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Angelo Ziletti Devinder Kumar Matthias Scheffler Luca M. Ghiringhelli Insightful classification of crystal structures using deep learning
description	Classifying crystal structures using their space group is important to understand material properties, but the process currently requires user input. Here, the authors use machine learning to automatically classify more than 100,000 simulated perfect and defective crystal structures.
format	article
author	Angelo Ziletti Devinder Kumar Matthias Scheffler Luca M. Ghiringhelli
author_facet	Angelo Ziletti Devinder Kumar Matthias Scheffler Luca M. Ghiringhelli
author_sort	Angelo Ziletti
title	Insightful classification of crystal structures using deep learning
title_short	Insightful classification of crystal structures using deep learning
title_full	Insightful classification of crystal structures using deep learning
title_fullStr	Insightful classification of crystal structures using deep learning
title_full_unstemmed	Insightful classification of crystal structures using deep learning
title_sort	insightful classification of crystal structures using deep learning
publisher	Nature Portfolio
publishDate	2018
url	https://doaj.org/article/fdc2ae7369674905b86a4eaab4c29eff
work_keys_str_mv	AT angeloziletti insightfulclassificationofcrystalstructuresusingdeeplearning AT devinderkumar insightfulclassificationofcrystalstructuresusingdeeplearning AT matthiasscheffler insightfulclassificationofcrystalstructuresusingdeeplearning AT lucamghiringhelli insightfulclassificationofcrystalstructuresusingdeeplearning
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Insightful classification of crystal structures using deep learning

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