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AUTONOMOUS MATERIALS IDENTIFICATION

AI tool makes phase identification crystal clear

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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.

References

  1. Häse, F., Roch, L. M. & Aspuru-Guzik, A. Trends Chem. 1, 282–291 (2019).

    Article  Google Scholar 

  2. Burger, B. et al. Nature 583, 237–241 (2020).

    Article  Google Scholar 

  3. Shields, B. J. et al. Nature 590, 89–96 (2021).

    Article  Google Scholar 

  4. Maffettone, P. M. et al. Nat. Comput. Sci. https://doi.org/10.1038/s43588-021-00059-2 (2021).

  5. Ludwig, A. npj Comput. Mater. 5, 70 (2019).

    Article  Google Scholar 

  6. Silver, D. et al. Science 362, 1140–1144 (2018).

    Article  MathSciNet  Google Scholar 

  7. Oviedo, F. et al. npj Comput. Mater. 5, 60 (2019).

    Article  Google Scholar 

  8. Lee, J.-W., Park, W. B., Lee, J. H., Singh, S. P. & Sohn, K.-S. Nat. Commun. 11, 86 (2020).

    Article  Google Scholar 

  9. Sun, W. et al. Nat. Mater. 18, 732–739 (2019).

    Article  Google Scholar 

  10. Zheng, C. et al. npj Comput. Mater. 4, 12 (2018).

    Article  Google Scholar 

  11. Meredig, B. & Wolverton, C. Nat. Mater. 12, 123–127 (2013).

    Article  Google Scholar 

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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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Corresponding author

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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  • DOI: https://doi.org/10.1038/s43588-021-00071-6

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