Meng Ye

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

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

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

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