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Evolving symbolic density functionals

Systematic development of accurate density functionals has been a decades-long challenge for scientists. Despite emerging applications of machine learning (ML) in approximating functionals, the resulting ML functionals usually contain more than tens of thousands of parameters, leading to a huge gap...

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Detalles Bibliográficos
Autores principales: Ma, He, Narayanaswamy, Arunachalam, Riley, Patrick, Li, Li
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Association for the Advancement of Science 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462698/
https://www.ncbi.nlm.nih.gov/pubmed/36083906
http://dx.doi.org/10.1126/sciadv.abq0279