De novo exploration and self-guided learning of potential-energy surfaces
Interatomic potential models based on machine learning (ML) are rapidly developing as tools for material simulations. However, because of their flexibility, they require large fitting databases that are normally created with substantial manual selection and tuning of reference configurations. Here,...
| Main Authors: | , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
Nature Research
2019
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