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Yuxinxin Chen

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Journal of Chemical Theory and Computation|June 22, 2026

Aitomia: An Agentic Framework for AI-Driven Atomistic and Quantum Chemical SimulationsJinming Hu, Hassan Nawaz, Yi-Fan Hou, et al.

Journal of Chemical Theory and Computation|June 5, 2024

MLatom Software Ecosystem for Surface Hopping Dynamics in Python with Quantum Mechanical and Machine Learning MethodsLina Zhang, Sebastian V Pios, Mikołaj Martyka, et al.

Journal of Chemical Theory and Computation|January 25, 2024

MLatom 3: A Platform for Machine Learning-Enhanced Computational Chemistry Simulations and WorkflowsPavlo O Dral, Fuchun Ge, Yi-Fan Hou, et al.

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Search research articles

Showing results (11-20 of 13) with videos related to

Sort By:

Pageof 2

You have reached the last page of results.This site can display upto 13 results.

Journal of Chemical Theory and Computation|June 22, 2026

Aitomia: An Agentic Framework for AI-Driven Atomistic and Quantum Chemical SimulationsJinming Hu, Hassan Nawaz, Yi-Fan Hou, et al.

Journal of Chemical Theory and Computation|June 5, 2024

MLatom Software Ecosystem for Surface Hopping Dynamics in Python with Quantum Mechanical and Machine Learning MethodsLina Zhang, Sebastian V Pios, Mikołaj Martyka, et al.

Journal of Chemical Theory and Computation|January 25, 2024

MLatom 3: A Platform for Machine Learning-Enhanced Computational Chemistry Simulations and WorkflowsPavlo O Dral, Fuchun Ge, Yi-Fan Hou, et al.

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