Large scale dataset of real space electronic charge density of cubic inorganic materials from density functional theory (DFT) calculations

Driven by the big data science, material informatics has attracted enormous research interests recently along with many recognized achievements. To acquire knowledge of materials by previous experience, both feature descriptors and databases are essential for training machine learning (ML) models wi...

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Detalles Bibliográficos
Autores principales: Wang, Fancy Qian, Choudhary, Kamal, Liu, Yu, Hu, Jianjun, Hu, Ming
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Data Descriptor
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8861008/
https://www.ncbi.nlm.nih.gov/pubmed/35190537
http://dx.doi.org/10.1038/s41597-022-01158-z

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8861008/
https://www.ncbi.nlm.nih.gov/pubmed/35190537
http://dx.doi.org/10.1038/s41597-022-01158-z

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