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MACHINE LEARNING

Toward artificial intelligence in catalysis

Nature Catalysisvolume 1pages641642 (2018) | Download Citation

Typically, catalysts are discovered through trial and error coupled with chemical intuition. Now, an automatic machine-learning framework has been developed that can guide itself to find intermetallic surfaces with desired catalytic properties.

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Author information

Affiliations

  1. Department of Chemical Engineering, Virginia Polytechnic Institute and State University, Blacksburg, VA, USA

    • Zheng Li
    • , Siwen Wang
    •  & Hongliang Xin

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Corresponding author

Correspondence to Hongliang Xin.

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DOI

https://doi.org/10.1038/s41929-018-0150-1

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