arxiv
PublishedMay 15, 2026 at 4:00 AM
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Lang2MLIP: End-to-End Language-to-Machine Learning Interatomic Potential Development with Autonomous Agentic Workflows
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arXiv:2605.14527v1 Announce Type: new Abstract: Developing machine learning interatomic potentials (MLIPs) for complex materials systems remains challenging because it requires expertise in atomistic simulations, machine learning, and workflow design, as well as iterative active learning procedures.
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