Journal ArticleOPEN ACCESS

CrySPY: a crystal structure prediction tool accelerated by machine learning

  • Yamashita T
  • Kanehira S
  • Sato N
  • et al.
Science and Technology of Advanced Materials: Methods (2021) 1(1) 87-97
DOI: 10.1080/27660400.2021.1943171
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Abstract

We have developed an open-source software called CrySPY, which is a crystal structure prediction tool written in Python 3, and runs on Unix/Linux platforms. CrySPY enables anyone to easily perform ...

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APA

Yamashita, T., Kanehira, S., Sato, N., Kino, H., Terayama, K., Sawahata, H., … Oguchi, T. (2021). CrySPY: a crystal structure prediction tool accelerated by machine learning. Science and Technology of Advanced Materials: Methods, 1(1), 87–97. https://doi.org/10.1080/27660400.2021.1943171

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