VASPilot automates complete VASP simulation workflows using a multi-agent AI system, and the abstract reports reliable autonomous completion of band structure, DOS, convergence, and band gap benchmark tasks.
In: CVPR (2020)
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VASPilot: MCP-Facilitated Multi-Agent Intelligence for Autonomous VASP Simulations
VASPilot automates complete VASP simulation workflows using a multi-agent AI system, and the abstract reports reliable autonomous completion of band structure, DOS, convergence, and band gap benchmark tasks.