TY - RPRT TI - Hierarchical Multi-agent Large Language Model Reasoning for Autonomous Heterogeneous Catalyst Discovery AU - Rothfarb, Samuel William [University of Connecticut, Storrs, CT (United States); Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0009000466969495) AU - Davis, Megan Christina [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000240388615) AU - Matanovic, Ivana [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000291918620) AU - Li, Baikun [University of Connecticut, Storrs, CT (United States)] (ORCID:0000000256235912) AU - Holby, Edward F. [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000184196298) AU - Kort-Kamp, Wilton Junior de Melo [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000206796690) PY - 2026 DO - 10.1038/s41524-026-02139-1 UR - https://www.osti.gov/biblio/3377274 ID - 3377274 ER -