| Autor: |
Felix Brockherde, Leslie Vogt, Li Li, Mark E. Tuckerman, Kieron Burke, Klaus-Robert Müller |
| Jazyk: |
angličtina |
| Rok vydání: |
2017 |
| Předmět: |
|
| Zdroj: |
Nature Communications, Vol 8, Iss 1, Pp 1-10 (2017) |
| Druh dokumentu: |
article |
| ISSN: |
2041-1723 |
| DOI: |
10.1038/s41467-017-00839-3 |
| Popis: |
Machine learning allows electronic structure calculations to access larger system sizes and, in dynamical simulations, longer time scales. Here, the authors perform such a simulation using a machine-learned density functional that avoids direct solution of the Kohn-Sham equations. |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
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