MAGUS: machine learning and graph theory assisted universal structure searcher

Crystal structure predictions based on first-principles calculations have gained great success in materials science and solid state physics. However, the remaining challenges still limit their applications in systems with a large number of atoms, especially the complexity of conformational space and...

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Detalles Bibliográficos
Autores principales: Wang, Junjie, Gao, Hao, Han, Yu, Ding, Chi, Pan, Shuning, Wang, Yong, Jia, Qiuhan, Wang, Hui-Tian, Xing, Dingyu, Sun, Jian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2023
Materias:
Review
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10275355/
https://www.ncbi.nlm.nih.gov/pubmed/37332628
http://dx.doi.org/10.1093/nsr/nwad128

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10275355/
https://www.ncbi.nlm.nih.gov/pubmed/37332628
http://dx.doi.org/10.1093/nsr/nwad128

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