Deep learning generative model for crystal structure prediction

Abstract Recent advances in deep learning generative models (GMs) have created high capabilities in accessing and assessing complex high-dimensional data, allowing superior efficiency in navigating vast material configuration space in search of viable structures. Coupling such capabilities with phys...

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Bibliographic Details
Main Authors: Xiaoshan Luo, Zhenyu Wang, Pengyue Gao, Jian Lv, Yanchao Wang, Changfeng Chen, Yanming Ma
Format: Article
Language:English
Published: Nature Portfolio 2024-11-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-024-01443-y
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