arXiv AI By Jinming Mu, Lixin He, Xudong Zhu, Shi Yin

NextCrystal: a Symmetry-Driven Generative Framework for Crystal Structure Prediction

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arXiv:2602. 17176v4 Announce Type: replace-cross Abstract: Crystal structure prediction (CSP), which aims to predict the 3D atomic arrangement of a crystal from its composition, is central to materials discovery and mechanistic understanding.

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