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