Quantum Unfolding: A program for unfolding electronic energy bands of materials. - Fawei Zheng; Ping Zhang; Wenhui Duan (Comput. Phys. Commun., 2015)

Neural Dynamics for Control of Industrial Agitator Tank With Rapid Convergence and Perturbations Rejection. - Wenhui Duan; Xiuchun Xiao; Dongyang Fu; Jingwen Yan; Mei Liu; Jiliang Zhang 001; Long Jin 001 (IEEE Access, 2019)

Noncontact cable force estimation with unmanned aerial vehicle and computer vision. - Yongding Tian; Cheng Zhang; Shang Jiang; Jian Zhang 041; Wenhui Duan (Comput. Aided Civ. Infrastructure Eng., 2021)

Symmetry-adapted graph neural networks for constructing molecular dynamics force fields. - Zun Wang; Chong Wang; Sibo Zhao; Shiqiao Du; Yong Xu 016; Bing-Lin Gu; Wenhui Duan (CoRR, 2021)

Heterogeneous relational message passing networks for molecular dynamics simulations. - Zun Wang; Chong Wang; Sibo Zhao; Yong Xu 016; Shaogang Hao; Chang Yu Hsieh; Bing-Lin Gu; Wenhui Duan (CoRR, 2021)

Deep-learning density functional theory Hamiltonian for efficient ab initio electronic-structure calculation. - He Li; Zun Wang; Nianlong Zou; Meng Ye 014; Runzhang Xu; Xiaoxun Gong; Wenhui Duan; Yong Xu 016 (Nat. Comput. Sci., 2022)

Deep-learning electronic-structure calculation of magnetic superstructures. - He Li; Zechen Tang; Xiaoxun Gong; Nianlong Zou; Wenhui Duan; Yong Xu 016 (Nat. Comput. Sci., 2023)

Author Correction: Deep-learning electronic-structure calculation of magnetic superstructures. - He Li; Zechen Tang; Xiaoxun Gong; Nianlong Zou; Wenhui Duan; Yong Xu 016 (Nat. Comput. Sci., 2023)

Dataset1 for "General framework for E(3)-equivariant neural network representation of density functional theory Hamiltonian". - Xiaoxun Gong; He Li; Nianlong Zou; Runzhang Xu; Wenhui Duan; Yong Xu 016 (Zenodo, 2023)

Dataset2 for "General framework for E(3)-equivariant neural network representation of density functional theory Hamiltonian". - Xiaoxun Gong; He Li; Nianlong Zou; Runzhang Xu; Wenhui Duan; Yong Xu 016 (Zenodo, 2023)

Dataset3 for "General framework for E(3)-equivariant neural network representation of density functional theory Hamiltonian". - Xiaoxun Gong; He Li; Nianlong Zou; Runzhang Xu; Wenhui Duan; Yong Xu 016 (Zenodo, 2023)

Code for "General framework for E(3)-equivariant neural network representation of density functional theory Hamiltonian". - Xiaoxun Gong; He Li; Nianlong Zou; Runzhang Xu; Wenhui Duan; Yong Xu 016 (Zenodo, 2023)

Generalizing deep learning electronic structure calculation to the plane-wave basis. - Xiaoxun Gong; Steven G. Louie; Wenhui Duan; Yong Xu 016 (Nat. Comput. Sci., 2024)

Author Correction: Deep-learning density functional theory Hamiltonian for efficient ab initio electronic-structure calculation. - He Li; Zun Wang; Nianlong Zou; Meng Ye 014; Runzhang Xu; Xiaoxun Gong; Wenhui Duan; Yong Xu 016 (Nat. Comput. Sci., 2024)

SA-GAT-SR: Self-Adaptable Graph Attention Networks with Symbolic Regression for high-fidelity material property prediction. - Junchi Liu; Ying Tang; Sergei Tretiak; Wenhui Duan; Liujiang Zhou (CoRR, 2025)