2025 "materials discovery" Papers

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SimXRD-4M: Big Simulated X-ray Diffraction Data and Crystal Symmetry Classification Benchmark

Bin Cao, Yang Liu, Zinan Zheng et al.

ICLR 2025poster

SymmCD: Symmetry-Preserving Crystal Generation with Diffusion Models

Daniel Levy, Siba Smarak Panigrahi, Sékou-Oumar Kaba et al.

ICLR 2025posterarXiv:2502.03638
37
citations