Hybrid algorithm of Bayesian optimization and evolutionary algorithm in crystal structure prediction
We propose a highly efficient searching algorithm in crystal structure prediction. The searching algorithm is a hybrid of the evolutionary algorithm and Bayesian optimization. The evolutionary algorithm is widely used in crystal structure prediction, and the Bayesian optimization is one of the selec...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Taylor & Francis Group
2022-12-01
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| Series: | Science and Technology of Advanced Materials: Methods |
| Subjects: | |
| Online Access: | http://dx.doi.org/10.1080/27660400.2022.2055987 |