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AUTONOMOUS MATERIALS IDENTIFICATION

AI tool makes phase identification crystal clear

Nature Computational Science volume 1, pages 311–312 (2021)Cite this article

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Mapping X-ray diffraction patterns to crystal structures is a comprehensive and time-consuming task for chemists and materials scientists. In a recent work, researchers developed a machine-learning tool to make this job more ‘self-driving’.

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Fig. 1: A synthetic database enables robust XRD pattern matching to candidate patterns.

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Authors and Affiliations

  1. Department of Materials Science and Engineering, University of Michigan, Ann Arbor, MI, USA

    Wenhao Sun

  2. Department of Chemical and Biological Engineering, University of Colorado Boulder, Boulder, CO, USA

    Michael F. Toney

Authors
  1. Wenhao Sun
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  2. Michael F. Toney
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Correspondence to Wenhao Sun.

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The authors declare no competing interests.

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Sun, W., Toney, M.F. AI tool makes phase identification crystal clear. Nat Comput Sci 1, 311–312 (2021). https://doi.org/10.1038/s43588-021-00071-6

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