2 papers
cond-mat.mtrl-sci2020
Dataset of Random Relaxations for Crystal Structure Search of Li-Si System
Gowoon Cheon, Lusann Yang, Kevin McCloskey +2
Crystal structure search is a long-standing challenge in materials design. We present a dataset of more than 100,000 structural relaxations of potential battery anode materials fro…
cs.LG2018
Tensor field networks: Rotation- and translation-equivariant neural networks for 3D point clouds
Nathaniel Thomas, Tess Smidt, Steven Kearnes +4
We introduce tensor field neural networks, which are locally equivariant to 3D rotations, translations, and permutations of points at every layer. 3D rotation equivariance removes…