Crystal structure prediction with host-guided inpainting generation and foundation potentials
Article 2025 en
Authors
PZ
Peichen Zhong
XD
Xuefang Dai
BD
Bowen Deng
Abstract
1 min read
This 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.
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