Inverse design of glass structure with deep graph neural networks

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.

Bibliographic Details
Main Authors: Qi Wang, Longfei Zhang
Format: Article
Language:English
Published: Nature Publishing Group 2021-09-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-021-25490-x
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spelling doaj-96e2df770d0e461887ed1838b75044b32021-09-12T11:44:36ZengNature Publishing GroupNature Communications2041-17232021-09-0112111110.1038/s41467-021-25490-xInverse design of glass structure with deep graph neural networksQi Wang0Longfei Zhang1Science and Technology on Surface Physics and Chemistry LaboratorySchool of Software, Beihang UniversityThe 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.https://doi.org/10.1038/s41467-021-25490-x
collection DOAJ
language English
format Article
sources DOAJ
author Qi Wang
Longfei Zhang
spellingShingle Qi Wang
Longfei Zhang
Inverse design of glass structure with deep graph neural networks
Nature Communications
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 Publishing Group
series Nature Communications
issn 2041-1723
publishDate 2021-09-01
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.
url https://doi.org/10.1038/s41467-021-25490-x
work_keys_str_mv AT qiwang inversedesignofglassstructurewithdeepgraphneuralnetworks
AT longfeizhang inversedesignofglassstructurewithdeepgraphneuralnetworks
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