59 citations · 262 across the 14 of their papers we have counts for
Showing 2024Show all
2 papers · 1 filter
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…
cs.LG2024★ 6 cited
Complete and Efficient Graph Transformers for Crystal Material Property Prediction
Keqiang Yan, Cong Fu, Xiaofeng Qian +2
Crystal structures are characterized by atomic bases within a primitive unit cell that repeats along a regular lattice throughout 3D space. The periodic and infinite nature of crys…