@misc{indiciaee80221aaa8b1, title = {Hierarchical Multi-agent Large Language Model Reasoning for Autonomous Heterogeneous Catalyst Discovery}, author = {Rothfarb, Samuel William [University of Connecticut, Storrs, CT (United States); Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0009000466969495) and Davis, Megan Christina [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000240388615) and Matanovic, Ivana [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000291918620) and Li, Baikun [University of Connecticut, Storrs, CT (United States)] (ORCID:0000000256235912) and Holby, Edward F. [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000184196298) and Kort-Kamp, Wilton Junior de Melo [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000206796690)}, year = {2026}, doi = {10.1038/s41524-026-02139-1}, url = {https://www.osti.gov/biblio/3377274}, note = {Source identifier: 3377274} }