Hybrid algorithm of Bayesian optimization and evolutionary algorithm in crystal structure prediction

  • Yamashita T
  • Kino H
  • Tsuda K
  • et al.
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Abstract

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 algo...

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Yamashita, T., Kino, H., Tsuda, K., Miyake, T., & Oguchi, T. (2022). Hybrid algorithm of Bayesian optimization and evolutionary algorithm in crystal structure prediction. Science and Technology of Advanced Materials: Methods, 2(1), 67–74. https://doi.org/10.1080/27660400.2022.2055987

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