Zijian Zhang

University of Toronto

105 St George Street

Toronto, M5S 3G8

Canada

  • University of Toronto

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El Agente: An Autonomous Agent for Quantum Chemistry

Number of pages: 41 Posted: 08 May 2025
Yunheng Zou, Austin H. Cheng, Abdulrahman Aldossary, Jiaru Bai, Shi Xuan Leong, Jorge Arturo Campos-Gonzalez-Angulo, Changhyeok Choi, Cher Tian Ser, Gary Tom, Andrew Wang, Zijian Zhang, Ilya Yakavets, Han Hao, Chris Crebolder, Varinia Bernales, Alan Aspuru-Guzik and Sneak Peek Administrator
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LLM-based agent, computational chemistry automation, semi-empirical methods, density functional theory (DFT), electronic structure, thermodynamic properties, organic molecules, inorganic complexes, high-throughput virtual screening, agentic model