Powder diffraction crystal structure determination using generative models

Powder diffraction crystal structure determination using generative models

Abstract Accurate crystal structure determination is critical across all scientific disciplines involving crystalline materials. However, solving and refining crystal structures from powder X-ray diffraction (PXRD) data is traditionally a labor-intensive process that demands substantial expertise. H...

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Bibliographic Details
Main Authors: Qi Li, Rui Jiao, Liming Wu, Tiannian Zhu, Wenbing Huang, Shifeng Jin, Yang Liu, Hongming Weng, Xiaolong Chen
Format: Article
Language:English
Published: Nature Portfolio 2025-08-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-025-62708-8
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