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Author

Joohee Choi

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Preprint Aug 2026

A Multi-Agent Framework for Automated Coarse-Grained Molecular Dynamics of Polymers

CGMas is presented, a multi-agent framework that automates topology construction, equilibration, mapping, potential derivation, and validation from a natural-language specification of the polymer and target resolution.

Joohee Choi, Junhyeong Lee, Seunghwa Ryu · 1 citation

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