Zun Wang

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

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

Deep Neural Network Representation of Density Functional Theory Hamiltonian

Yong Xu, W. Duan, M. Ye, 2021 .

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

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

Symmetry-adapted graph neural networks for constructing molecular dynamics force fields pdf

Yong Xu, Chong Wang, Zun Wang, 2021, Science China Physics, Mechanics & Astronomy.

Phonon-Limited Valley Polarization in Transition-Metal Dichalcogenides.

B. Monserrat, Yizhou Liu, Zuzhang Lin, 2022, Physical review letters.

Intrinsic magnetic topological insulators in van der Waals layered MnBi2Te4-family materials

Bing-Lin Gu, Ke He, Yang Li, 2018, Science Advances.

Heterogeneous relational message passing networks for molecular dynamics simulations pdf

Bing-Lin Gu, Wenhui Duan, Zun Wang, 2021, npj Computational Materials.