6 citations · 14 across the 10 of their papers we have counts for
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cond-mat.mtrl-sci2024★ 2 cited
A Space Group Symmetry Informed Network for O(3) Equivariant Crystal Tensor Prediction
Keqiang Yan, Alexandra Saxton, Xiaofeng Qian +2
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…
cond-mat.mtrl-sci2022★ 2 cited
Examining graph neural networks for crystal structures: limitations and opportunities for capturing periodicity
Sheng Gong, Tian Xie, Yang Shao-Horn +2
Historically, materials informatics has relied on human-designed descriptors of materials structures. In recent years, graph neural networks (GNNs) have been proposed for learning…