Mining of effective local order parameters for classifying crystal structures: A machine learning study.

@article{Doi2020MiningOE,
  title={Mining of effective local order parameters for classifying crystal structures: A machine learning study.},
  author={Hideo Doi and Kazuaki Z. Takahashi and Takeshi Aoyagi},
  journal={The Journal of chemical physics},
  year={2020},
  volume={152 21},
  pages={
          214501
        }
}
  • Hideo Doi, Kazuaki Z. Takahashi, Takeshi Aoyagi
  • Published 2020
  • Chemistry, Medicine
  • The Journal of chemical physics
  • Determining local structures of molecular systems helps the scientific and technological understanding of the function of materials. Molecular simulations provide microscopic information on molecular systems, but analyzing the resulting local structures is a non-trivial task. Many kinds of order parameters have been developed for detecting such local structures. Bond-orientational order parameters are promising for classifying local structures and have been used to analyze systems with such… CONTINUE READING

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