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Hierarchical Multi-agent Large Language Model Reasoning for Autonomous Heterogeneous Catalyst Discovery

Rothfarb, Samuel William [University of Connecticut, Storrs, CT (United States); Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0009000466969495) et al.

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ai catalysis multi

30 direct energy conversion, 36 materials science, ai-driven simulation, active learning, catalysis, large language models, materials discovery, multi-agent reasoning

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