PolyJarvis autonomously runs polymer MD simulations from natural language input, producing density predictions within 0.1-4.8% and other properties consistent with expert simulations on four tested polymers.
Toward Automated Simulation Research Workflow through LLM Prompt Engineering Design.J
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PolyJarvis: LLM Agent for Autonomous Polymer MD Simulations
PolyJarvis autonomously runs polymer MD simulations from natural language input, producing density predictions within 0.1-4.8% and other properties consistent with expert simulations on four tested polymers.