Deep Learning-Based Prediction of Contact Maps and Crystal Structures of Inorganic Materials

[Image: see text] Crystal structure prediction is one of the major unsolved problems in materials science. Traditionally, this problem is formulated as a global optimization problem for which global search algorithms are combined with first-principles free energy calculations to predict the ground-s...

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Detalles Bibliográficos
Autores principales: Hu, Jianjun, Zhao, Yong, Li, Qin, Song, Yuqi, Dong, Rongzhi, Yang, Wenhui, Siriwardane, Edirisuriya M. D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10373470/
https://www.ncbi.nlm.nih.gov/pubmed/37521616
http://dx.doi.org/10.1021/acsomega.3c02115

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