TY - RPRT TI - Developing machine learning for heterogeneous catalysis with experimental and computational data AU - Bozal-Ginesta, Carlota [Catalonia Institute for Energy Research, Barcelona (Spain); University of Toronto, ON (Canada)] (ORCID:0000000172995869) AU - Pablo-García, Sergio [University of Toronto, ON (Canada); Vector Institute for Artificial Intelligence, Toronto, ON (Canada); Acceleration Consortium, Toronto, ON (Canada)] AU - Choi, Changhyeok [University of Toronto, ON (Canada)] AU - Tarancón, Albert [Catalonia Institute for Energy Research, Barcelona (Spain); ICREA, Barcelona (Spain)] (ORCID:0000000219332406) AU - Aspuru-Guzik, Alán [University of Toronto, ON (Canada); Vector Institute for Artificial Intelligence, Toronto, ON (Canada); Acceleration Consortium, Toronto, ON (Canada); Lebovic Fellow, Canadian Institute for Advanced Research (CIFAR), Toronto, ON (Canada)] PY - 2025 DO - 10.1038/s41570-025-00740-4 UR - https://www.osti.gov/biblio/3010649 ID - 3010649 ER -