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

ArXiv CS.CL2026-05-29NEWSen作者: Achuth Chandrasekhar, Janghoon Ock, Amir Barati Farimani

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Catalyst-Agent: Autonomous heterogeneous catalyst screening with an LLM Agent · 相关技术

相关技术

LLM large language models Model Context Protocol Density Functional Theory graph neural networks