Adaptive sampling methods via machine learning for materials screening

  • Takahashi A
  • Kumagai Y
  • Aoki H
  • et al.
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Abstract

1. High-throughput virtual screening by using first-principles calculation is a powerful tool for exploring materials with desired properties [1–4]. The recent improvement of computers and algorith...

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Takahashi, A., Kumagai, Y., Aoki, H., Tamura, R., & Oba, F. (2022). Adaptive sampling methods via machine learning for materials screening. Science and Technology of Advanced Materials: Methods, 2(1), 55–66. https://doi.org/10.1080/27660400.2022.2039573

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