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Bypassing the Kohn-Sham equations with machine learning
Last year, at least 30,000 scientific papers used the Kohn–Sham scheme of density functional theory to solve electronic structure problems in a wide variety of scientific fields. Machine learning holds the promise of learning the energy functional via examples, bypassing the need to solve the Kohn–S...
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| Publicado no: | Nat Commun |
|---|---|
| Main Authors: | , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Publishing Group UK
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5636838/ https://ncbi.nlm.nih.gov/pubmed/29021555 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41467-017-00839-3 |
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