Elinvar effect in β-Ti simulated by on-the-fly trained moment tensor potential
A combination of quantum mechanics calculations with machine learning techniques can lead to a paradigm shift in our ability to predict materials properties from first principles. Here we show that on-the-fly training of an interatomic potential described through moment tensors provides the same acc...
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| Автори: | , , , , |
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| Формат: | Artigo |
| Мова: | Inglês |
| Опубліковано: |
IOP Publishing
2020-01-01
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| Серія: | New Journal of Physics |
| Предмети: | |
| Онлайн доступ: | https://doi.org/10.1088/1367-2630/abc392 |
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