cond-mat.mtrl-sci · 2026-06-15 · No. 24

Materials Science, 2026-06-15.

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

01 — The papers

1 entries
  1. 01

    XRDiff: Crystal Structure Prediction from Powder X-Ray Diffraction Data Using Diffusion Models

    Nofit Segal, Mingda Li, Benjamin Kurt Miller, Rafael Gómez-Bombarelli

    cond-mat.mtrl-sci · cs.LG · physics.comp-ph

    Determining the crystal structure of a material from its powder X-ray diffraction (PXRD) pattern is a central challenge in materials science. PXRD is an accessible and widely used characterization technique, yet recovering the atomic structure from diffraction data requires solving an underdetermined inverse problem due to the loss of phase information. Generative modeling can provide a prior over atomic structure and learn the mapping from...

    arxiv.org/abs/2606.14003 · PDF

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