Cargando…
Self-consistent determination of long-range electrostatics in neural network potentials
Machine learning has the potential to revolutionize the field of molecular simulation through the development of efficient and accurate models of interatomic interactions. Neural networks can model interactions with the accuracy of quantum mechanics-based calculations, but with a fraction of the cos...
| Autores principales: | , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2022
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8943018/ https://www.ncbi.nlm.nih.gov/pubmed/35322046 http://dx.doi.org/10.1038/s41467-022-29243-2 |