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)