An Efficient High-Degree, High-Order Equivariant Graph Neural Network for Direct Crystal Structure Optimization
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arXiv
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| Main Authors: | Yang, Ziduo, Zhuo, Wei, Xie, Huiqiang, Liu, Xiaoqing, Shen, Lei |
|---|---|
| Format: | Preprint |
| Published: |
2026
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| Subjects: | |
| Online Access: | |
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