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:2502.05379 , year=
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This perspective article develops a definition of foundational MLIPs and poses six open questions that the authors believe will define future research in machine-learned interatomic potentials.
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Lang2MLIP: End-to-End Language-to-Machine Learning Interatomic Potential Development with Autonomous Agentic Workflows
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.
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Six Open Questions in Machine-Learned Interatomic Potential Foundation Models
This perspective article develops a definition of foundational MLIPs and poses six open questions that the authors believe will define future research in machine-learned interatomic potentials.