LLM-based agent empowered with geometric deep learning, data-oriented approaches and quantum chemistry to unravel synchrotron data of operando catalysis

Bogdan Protsenko, Sergey Alexandrovich Guda, Kulaev Kirill Dmitrievich, Mikhail Lifar, George Asaturov, Nazar Chubkov, Daniil Kupriianenko, George Kochiev Jambolatovich, Alexander Guda, Alexander Soldatov

Keywords: XAS, ML, DL, LLM, catalysis, LLM-agents, assistent, QM

TL;DR: LLM-based agent for automatic and robust XAS data analysis

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Submission Number: 280