Evolutionary computing and machine learning for discovering of low-energy defect configurations
Abstract Density functional theory (DFT) has become a standard tool for the study of point defects in materials. However, finding the most stable defective structures remains a very challenging task as it involves the solution of a multimodal optimization problem with a high-dimensional objective fu...
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| Auteurs principaux: | , |
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| Format: | article |
| Langue: | EN |
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Nature Portfolio
2021
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| Accès en ligne: | https://doaj.org/article/a88de3e9469f4940a039fdef29558a9d |
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