Lang2MLIP is an LLM multi-agent framework that automates end-to-end development of machine learning interatomic potentials from natural language input for heterogeneous materials systems.
arXiv preprint arXiv:2512.03549 , year=
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Paimon is an agentic framework that automates atomistic simulations and improves reliability by suppressing silent errors in agent workflows, demonstrated on liquid electrolyte cases and literature reproduction.
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A Robust Agentic Framework for Expert-Level Automation of Atomistic Simulations
Paimon is an agentic framework that automates atomistic simulations and improves reliability by suppressing silent errors in agent workflows, demonstrated on liquid electrolyte cases and literature reproduction.