LAMMPS

This Model Context Protocol (MCP) server acts as a bridge, allowing AI assistants to seamlessly control LAMMPS molecular dynamics simulations. It provides a standardized interface for setting up, configuring, running, monitoring, and analyzing simulations using natural language commands. The server empowers AI to manage complex simulation workflows, load various molecular structures, track real-time progress, and process simulation results, making it a key component for autonomous computational materials design.