Towards exact molecular dynamics simulations with machine-learned force fields
Simultaneous accurate and efficient prediction of molecular properties relies on combined quantum mechanics and machine learning approaches. Here the authors develop a flexible machine-learning force-field with high-level accuracy for molecular dynamics simulations.
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2018-09-01
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| Series: | Nature Communications |
| Online Access: | https://doi.org/10.1038/s41467-018-06169-2 |