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Crystal structure prediction by combining graph network and optimization algorithm
Crystal structure prediction is a long-standing challenge in condensed matter and chemical science. Here we report a machine-learning approach for crystal structure prediction, in which a graph network (GN) is employed to establish a correlation model between the crystal structure and formation enth...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8938491/ https://www.ncbi.nlm.nih.gov/pubmed/35314689 http://dx.doi.org/10.1038/s41467-022-29241-4 |