"materials informatics" Papers

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

Yusei Ito, Tatsunori Taniai, Ryo Igarashi et al.

ICLR 2025posterarXiv:2503.02209
8
citations

FlowMM: Generating Materials with Riemannian Flow Matching

Benjamin Kurt Miller, Ricky T. Q. Chen, Anuroop Sriram et al.

ICML 2024posterarXiv:2406.04713