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Paper · arXiv

Generative Discovery of Magnetic Insulators under Competing Physical Constraints

Discovering materials that must simultaneously satisfy multiple competing constraints remains a central challenge in computational materials design, particularly in data-scarce regimes where conventional data-driven approaches are least effective. Magnetic insulators represent a stringent example: the electronic conditions that favor magnetic order often also promote metallicity, while insulating behavior suppresses the interactions that stabilize magnetism. As a result, experimentally viable magnetic insulators are rare and difficult to identify through conventional screening. Here, we introduce MagMatLLM, a constraint-guided generative discovery framework that integrates language-model-...

AuthorsQiulin Zeng, Tahiya Chowdhury, Md Shafayat Hossain
Primary categorycond-mat.mtrl-sci
Published22 April 2026
Last updated at source22 April 2026
cond-mat.mtrl-scics.AI
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