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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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MDPI
2023
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| 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 |