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Get Free AccessThis work presents the crystal host-guided generation (CHGGen) framework, which uses a conditional inpainting method on a symmetrized host structure for generating symmetric crystals and a foundation potential for structure optimization.
Peichen Zhong, Xuefang Dai, Bowen Deng, Gerbrand Ceder, Kristin A. Persson (2025). Crystal structure prediction with host-guided inpainting generation and foundation potentials. , 12(22), DOI: https://doi.org/10.1039/d5mh00774g.
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Type
Article
Year
2025
Authors
5
Datasets
0
Total Files
0
Language
en
DOI
https://doi.org/10.1039/d5mh00774g
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