"crystal structure modeling" Papers

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Local-Global Associative Frames for Symmetry-Preserving Crystal Structure Modeling

haowei hua, Wanyu Lin

NEURIPS 2025arXiv:2505.15315
3
citations

Rethinking the role of frames for SE(3)-invariant crystal structure modeling

Yusei Ito, Tatsunori Taniai, Ryo Igarashi et al.

ICLR 2025arXiv:2503.02209
8
citations