Aug 2026
A Toolset-First Paradigm Based on Large Language Model and Agent via Model Context Protocol for Intelligent Computation.
This work proposes a toolset-first paradigm for intelligent computation that decouples the tools from the agents via the model context protocol (MCP), and constructs four MCP servers, HEA-MCP, VASP-MCP, LAMMPS-MCP, and OpenClaw-MCP.
Jin Zhao, Haichao Li, Tao He et al.
· Journal of Physical Chemistr... · 0 citations