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Inverse design of glass structure with deep graph neural networks

Directly manipulating the atomic structure to achieve a specific property is a long pursuit in the field of materials. However, hindered by the disordered, non-prototypical glass structure and the complex interplay between structure and property, such inverse design is dauntingly hard for glasses. H...

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Detalles Bibliográficos
Autores principales: Wang, Qi, Zhang, Longfei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8429760/
https://www.ncbi.nlm.nih.gov/pubmed/34504073
http://dx.doi.org/10.1038/s41467-021-25490-x