Xiaoxun Gong

Deep-Learning Density Functional Theory Hamiltonian for Efficient ab initio Electronic-Structure Calculation

Yong Xu, W. Duan, Runzhang Xu, 2021, 2104.03786.

Deep-learning electronic-structure calculation of magnetic superstructures

Yong Xu, W. Duan, He Li, 2022, Nature Computational Science.

Deep-learning density functional theory Hamiltonian for efficient ab initio electronic-structure calculation

Yong Xu, W. Duan, Runzhang Xu, 2021, Nature Computational Science.

General framework for E(3)-equivariant neural network representation of density functional theory Hamiltonian

Yong Xu, W. Duan, Runzhang Xu, 2022, Nature communications.

Efficient hybrid density functional calculation by deep learning

Yong Xu, W. Duan, X. Ren, 2023, 2302.08221.