Machine Learning Electron Density Prediction Using Weighted Smooth Overlap of Atomic Positions

Having access to accurate electron densities in chemical systems, especially for dynamical systems involving chemical reactions, ion transport, and other charge transfer processes, is crucial for numerous applications in materials chemistry. Traditional methods for computationally predicting electro...

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Detalles Bibliográficos
Autores principales: Achar, Siddarth K., Bernasconi, Leonardo, Johnson, J. Karl
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10303543/
https://www.ncbi.nlm.nih.gov/pubmed/37368284
http://dx.doi.org/10.3390/nano13121853

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10303543/
https://www.ncbi.nlm.nih.gov/pubmed/37368284
http://dx.doi.org/10.3390/nano13121853

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