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Crystal Structure Prediction of Binary Alloys via Deep Potential

Predicting crystal structure has been a challenging problem in physics and materials science for a long time. A reliable energy calculation engine combined with an efficient global search algorithm, such as particle swarm optimization algorithm or genetic algorithm, is needed to conduct crystal stru...

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Detalles Bibliográficos
Autores principales:	Wang, Haidi, Zhang, Yuzhi, Zhang, Linfeng, Wang, Han
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2020
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7732660/ https://www.ncbi.nlm.nih.gov/pubmed/33330377 http://dx.doi.org/10.3389/fchem.2020.589795

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