PointNet-based 3D deep learning model designed for decoding the structure-property relationship for generic crystalline materials.
Readers with interest should directly contact the corresponding author Raymond Wang for more information and we are open for collaborations.
raymondwang@u.northwestern.eduPlease cite the following work if you want to use the deepKNet.
@article{wang2021learning,
title={Learning the Crystal Structure Genome for Property Classifications},
author={Wang, Yiqun and Zhang, Xiao-Jie and Xia, Fei and Olivetti, Elsa A and Seshadri, Ram and Rondinelli, James M},
journal={arXiv preprint arXiv:2101.01773},
year={2021}
}