Roadmap for transforming heterogeneous catalysis with artificial intelligence

Nature Catalysis 2026

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Authors: Hongliang Xin, John Kitchin, Núria López, Neil M. Schweitzer, Nongnuch Artrith, Fanglin Che, Lars C. Grabow, G. T. Kasun Kalhara Gunasooriya, Heather J. Kulik, Teodoro Laino, H. C. Li, Suljo Linic
+10 more Andrew J. Medford, Randall J. Meyer, Jiayu Peng, C. B. Phillips, Jin Qian, Long Qi, Wendy J. Shaw, Zachary W. Ulissi, Siwen Wang, Xiaonan Wang
DOI: 10.1038/s41929-026-01479-x
Cited by: 16
References: 71

Fields of Study & Subjects

Machine Learning in Materials Science Catalysis and Oxidation Reactions Electrocatalysts for Energy Conversion

Publication details

Journal / source
Nature Catalysis
Publisher
Springer Science and Business Media LLC
Volume
9
Issue
2
Pages
102–111
Publication date
16 February 2026
Language
EN