TY  - RPRT
TI  - Roadmap for transforming heterogeneous catalysis with artificial intelligence
AU  - Xin, Hongliang [Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States)] (ORCID:0000000193441697)
AU  - Kitchin, John R. [Carnegie Mellon University, Pittsburgh, PA (United States)] (ORCID:0000000326259232)
AU  - López, Núria [The Barcelona Institute of Science and Technology, Tarragona (Spain)] (ORCID:0000000191505941)
AU  - Schweitzer, Neil M. [Northwestern University, Evanston, IL (United States)]
AU  - Artrith, Nongnuch [Utrecht University (Netherlands)] (ORCID:0000000311536583)
AU  - Che, Fanglin [University of Massachusetts, Lowell, MA (United States)]
AU  - Grabow, Lars C. [University of Houston, TX (United States)] (ORCID:0000000277668856)
AU  - Gunasooriya, G. T. Kasun Kalhara [University of Oklahoma, Norman, OK (United States)] (ORCID:0000000312587841)
AU  - Kulik, Heather J. [Massachusetts Institute of Technology, Cambridge, MA (United States)] (ORCID:0000000193420191)
AU  - Laino, Teodoro [IBM Research Europe – Zurich, Rüschlikon (Switzerland); NCCR Catalysis, Zurich (Switzerland)] (ORCID:0000000187170456)
AU  - Li, Hao [Tohoku University, Miyagi (Japan)] (ORCID:0000000275771366)
AU  - Linic, Suljo [University of Michigan, Ann Arbor, MI (United States)] (ORCID:0000000321536755)
AU  - Medford, Andrew J. [Georgia Institute of Technology, Atlanta, GA (United States)]
AU  - Meyer, Randall J. [ExxonMobil Technology and Engineering, Annandale, NJ (United States)] (ORCID:0000000206790029)
AU  - Peng, Jiayu [University at Buffalo, NY (United States)] (ORCID:000000033696770X)
AU  - Phillips, Cory [US Department of Energy, Washington, DC (United States)] (ORCID:0009000507427124)
AU  - Qian, Jin [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0000000201620477)
AU  - Qi, Long [Iowa State University, Ames, IA (United States)]
AU  - Shaw, Wendy J. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000246967415)
AU  - Ulissi, Zachary W. [Fundamental AI Research (FAIR), Meta, San Francisco, CA (United States)]
AU  - Wang, Siwen [Toyota Research Institute of North America, Ann Arbor, MI (United States)] (ORCID:0000000335825398)
AU  - Wang, Xiaonan [Tsinghua University, Beijing (China)] (ORCID:0000000197752417)
PY  - 2026
DO  - 10.1038/s41929-026-01479-x
UR  - https://www.osti.gov/biblio/3375864
ID  - 3375864
ER  -