Cargando…

Ab initio calculation of real solids via neural network ansatz

Neural networks have been applied to tackle many-body electron correlations for small molecules and physical models in recent years. Here we propose an architecture that extends molecular neural networks with the inclusion of periodic boundary conditions to enable ab initio calculation of real solid...

Descripción completa

Detalles Bibliográficos
Autores principales: Li, Xiang, Li, Zhe, Chen, Ji
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9780243/
https://www.ncbi.nlm.nih.gov/pubmed/36550157
http://dx.doi.org/10.1038/s41467-022-35627-1