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News/Catalyst-Agent: Autonomous heterogeneous catalyst screening with an LLM Agent
arxiv
PublishedJuly 16, 2026 at 4:00 AM
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Catalyst-Agent: Autonomous heterogeneous catalyst screening with an LLM Agent

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arXiv:2603.01311v3 Announce Type: replace Abstract: The discovery of catalysts for electrochemical applications such as the oxygen reduction reaction (ORR), nitrogen reduction reaction (NRR), and CO2 reduction reaction (CO2RR) remains a central challenge in chemistry and materials science. Machine-l

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