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20232026
most citedBeyond Independent Error Assumptions in Large GNN Atomistic Models

11 citations · 35 across the 15 of their papers we have counts for

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cs.CL2026

Catalyst-Agent: Autonomous heterogeneous catalyst screening with an LLM Agent

Achuth Chandrasekhar, Janghoon Ock, Amir Barati Farimani

The discovery of catalysts for electrochemical applications such as the oxygen reduction reaction (ORR), nitrogen reduction reaction (NRR), and CO2 reduction reaction (CO2RR) remai…