2024
A Space Group Symmetry Informed Network for O(3) Equivariant Crystal Tensor Prediction
ICML 2024poster
We consider the prediction of general tensor properties of crystalline materials, including dielectric, piezoelectric, and elastic tensors. A key challenge here is how to make the predictions satisfy the unique tensor equivariance to both O(3) and crystal space groups. To this end, we propose a Gene…