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Large language models in materials science: open-source approaches (arxiv.org)
1 point by PaulHoule 298 days ago | hide | past | pdf | discuss on HN

In plain words: The review surveys how large language models help materials science: pulling synthesis details from papers, predicting how structures behave, and running robot labs. Tests show free, openly shared models perform about as well as costly closed ones while keeping data private and results reproducible.

Abstract · Large language models in materials science and the need for open-source approaches

Large language models (LLMs) are rapidly transforming materials science. This review examines recent LLM applications across the materials discovery pipeline, focusing on three key areas: mining scientific literature , predictive modelling, and multi-agent experimental systems. We highlight how LLMs extract valuable information such as synthesis conditions from text, learn structure-property relationships, and can coordinate agentic systems integrating computational tools and laboratory automation. While progress has been largely dependent on closed-source commercial models, our benchmark results demonstrate that open-source alternatives can match performance while offering greater transparency, reproducibility, cost-effectiveness, and data privacy. As open-source models continue to improve, we advocate their broader adoption to build accessible, flexible, and community-driven AI platforms for scientific discovery.

Fengxu Yang, Weitong Chen, Jack D. Evans
arXiv:2511.10673 · cs.CL, cond-mat.mtrl-sci · submitted Nov 10, 2025
abstract · pdf · html · 16 pages, 5 figures

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