ColPackAgent: Agent-Skill-Guided Hard-Particle Monte Carlo Workflows for Colloidal Packing
We introduce ColPackAgent, an agent framework that autonomously runs Monte Carlo simulations of colloidal packing through a Model Context Protocol (MCP) tool server and an agent skill, whether as a standalone agent or inside an existing agent system. By harnessing the MCP server and agent skill, ColPackAgent executes a structured workflow for colloidal packing simulations, which are central to studies of phase behavior, self-assembly, and materials design. Without dedicated simulation tools and workflow instructions, general-purpose Large Language Model (LLM) agents tend to describe such workflows rather than execute them reliably. The MCP server exposes a custom-built colpack Python pack...
| Authors | Lijie Ding, Changwoo Do |
|---|---|
| Primary category | cs.AI |
| Published | 15 May 2026 |
| Last updated at source | 15 May 2026 |
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