"crystalline materials" Papers

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ECD: A Machine Learning Benchmark for Predicting Enhanced-Precision Electronic Charge Density in Crystalline Inorganic Materials

Pin Chen, Zexin Xu, Qing Mo et al.

ICLR 2025poster
3
citations

MOFFlow: Flow Matching for Structure Prediction of Metal-Organic Frameworks

Nayoung Kim, Seongsu Kim, Minsu Kim et al.

ICLR 2025posterarXiv:2410.17270
5
citations

A Space Group Symmetry Informed Network for O(3) Equivariant Crystal Tensor Prediction

Keqiang Yan, Alexandra Saxton, Xiaofeng Qian et al.

ICML 2024poster