cond-mat.mtrl-sci · 2026-09-02 · No. 103

Materials Science, 2026-09-02.

2 new papers in cond-mat.mtrl-sci. Titles, authors, abstracts. Links to arXiv. Want this in your inbox every morning? Subscribe →

01 — The papers

2 entries
  1. 01

    Autonomous discovery of new structure-plausibility laws for explainable and rapid crystal diagnosis and screening

    Zhilong Song, Lixue Cheng

    cond-mat.mtrl-sci · cs.AI

    Crystal generators and tool-using agents propose structures faster than density functional theory (DFT) energy and phonon calculations or experiments can assess them. Deciding which candidates merit expensive assessment is therefore the bottleneck, yet most screens test little beyond atomic overlap and give no chemical reason for failure. Here, our agents generate, test and actively refute two million candidate laws, leaving eight...

    arxiv.org/abs/2609.01209 · PDF

  2. 02

    Text-guided flow matching enables sample-efficient crystal structure generation

    Wentao Li

    cond-mat.mtrl-sci · cs.AI

    Crystal generators can now propose periodic structures, but their control interfaces remain poorly matched to the mixed descriptors used in materials design. Text provides a compact way to combine composition, symmetry, prototype and property cues, yet it has not been clear whether such information can steer flow-based crystal generation. Here we introduce TFMat, a text-conditioned flow-matching framework that uses structured materials...

    arxiv.org/abs/2609.01076 · PDF

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