General Framework for Geometric Deep Learning on Tensorial Properties of Molecules and Crystals

W Wenjie Yan X Xinming Lai (Collaborative Innovation Center of Chemistry for Energy Materials (iChEM), Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, MOE Key Laboratory of Computational Physical Sciences, Research Center for Chemical Theory, Department of Chemistry) Y Yicheng Chen (Department of Materials Science and Engineering) W Wenhao Zhang (School of Physical Science and Technology, ShanghaiTech University, 393 Middle Huaxia Road, Shanghai 201210, China) J Jianming Wu X Xin Xu

Article Details

Volume / Issue Vol. 147, Issue 51
Published December 24, 2025
Pages 47044-47056
ISSN 0002-7863
Publisher American Chemical Society

Journal Info

Journal of the American Chemical Society

American Chemical Society

ISSN: 0002-7863 Physical Sciences

Authors (6)

W

Wenjie Yan

X

Xinming Lai

Collaborative Innovation Center of Chemistry for Energy Materials (iChEM), Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, MOE Key Laboratory of Computational Physical Sciences, Research Center for Chemical Theory, Department of Chemistry

Y

Yicheng Chen

Department of Materials Science and Engineering

W

Wenhao Zhang

School of Physical Science and Technology, ShanghaiTech University, 393 Middle Huaxia Road, Shanghai 201210, China

J

Jianming Wu

X

Xin Xu