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

arXiv:2608.06694 · cs.AI, cs.MA · Submitted 2026-08-07 · Read on arXiv

Joohee Choi, Junhyeong Lee, Seunghwa Ryu

cs.AI, cs.MA

Submitted: 2026-08-07

Updated: 2026-08-10

License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/

Terminology

• Coarse-Graining — 19× in this paper · explained in 3 episodes
• Benchmark — 12× in this paper · explained in 2 episodes
• Korea Advanced Institute of Science and Technology — 6× in this paper
• Multi-Agent Framework — 5× in this paper · explained in 3 episodes
• Accuracy — 4× in this paper · explained in 1 episode
• Verification — 3× in this paper · explained in 2 episodes
• Ab Initio — 2× in this paper · explained in 1 episode
• Composition — 2× in this paper · explained in 2 episodes
• Consistency — 2× in this paper · explained in 3 episodes
• Core — 2× in this paper · explained in 2 episodes
• Degeneracy — 2× in this paper · explained in 4 episodes
• Generator — 2× in this paper · explained in 2 episodes
• Multi-Agent System — 2× in this paper · explained in 7 episodes
• Parameterization — 2× in this paper · explained in 2 episodes
• Robustness — 2× in this paper · explained in 6 episodes
• Agentic Framework — 1× in this paper · explained in 7 episodes
• Agentic System — 1× in this paper · explained in 2 episodes
• Center of Mass (CoM) — 1× in this paper · explained in 2 episodes
• Computational Efficiency — 1× in this paper · explained in 2 episodes
• EMMA — 1× in this paper · explained in 2 episodes
• Failure Modes — 1× in this paper · explained in 3 episodes
• Feedback Loop — 1× in this paper · explained in 2 episodes
• Fidelity — 1× in this paper · explained in 2 episodes
• Language Models (LLMs) — 1× in this paper · explained in 2 episodes
• Large Language Models (LLMs) — 1× in this paper · explained in 9 episodes
• Molecular Dynamics (MD) Simulations — 1× in this paper · explained in 2 episodes
• Trace — 1× in this paper · explained in 2 episodes
• Unified Framework — 1× in this paper · explained in 6 episodes

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