Inverse design of glass structure with deep graph neural networks

The inverse design of the material for given target property is challenging for glasses due to their disordered non-prototypical structure. Wang and Zhang propose a data-driven property oriented inverse approach for design of glassy materials with desired functionalities.

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Detalles Bibliográficos
Autores principales:	Qi Wang, Longfei Zhang
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/96e2df770d0e461887ed1838b75044b3
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spelling	oai:doaj.org-article:96e2df770d0e461887ed1838b75044b32021-12-02T14:55:09ZInverse design of glass structure with deep graph neural networks10.1038/s41467-021-25490-x2041-1723https://doaj.org/article/96e2df770d0e461887ed1838b75044b32021-09-01T00:00:00Zhttps://doi.org/10.1038/s41467-021-25490-xhttps://doaj.org/toc/2041-1723The inverse design of the material for given target property is challenging for glasses due to their disordered non-prototypical structure. Wang and Zhang propose a data-driven property oriented inverse approach for design of glassy materials with desired functionalities.Qi WangLongfei ZhangNature PortfolioarticleScienceQENNature Communications, Vol 12, Iss 1, Pp 1-11 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Qi Wang Longfei Zhang Inverse design of glass structure with deep graph neural networks
description	The inverse design of the material for given target property is challenging for glasses due to their disordered non-prototypical structure. Wang and Zhang propose a data-driven property oriented inverse approach for design of glassy materials with desired functionalities.
format	article
author	Qi Wang Longfei Zhang
author_facet	Qi Wang Longfei Zhang
author_sort	Qi Wang
title	Inverse design of glass structure with deep graph neural networks
title_short	Inverse design of glass structure with deep graph neural networks
title_full	Inverse design of glass structure with deep graph neural networks
title_fullStr	Inverse design of glass structure with deep graph neural networks
title_full_unstemmed	Inverse design of glass structure with deep graph neural networks
title_sort	inverse design of glass structure with deep graph neural networks
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/96e2df770d0e461887ed1838b75044b3
work_keys_str_mv	AT qiwang inversedesignofglassstructurewithdeepgraphneuralnetworks AT longfeizhang inversedesignofglassstructurewithdeepgraphneuralnetworks
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Inverse design of glass structure with deep graph neural networks

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