Deep-learning electronic-structure calculation of magnetic superstructures H Li, Z Tang, X Gong, N Zou, W Duan, Y Xu Nature Computational Science 3 (4), 321-327, 2023 | 25 | 2023 |
Deep-learning density functional perturbation theory H Li, Z Tang, J Fu, WH Dong, N Zou, X Gong, W Duan, Y Xu Physical Review Letters 132 (9), 096401, 2024 | 9 | 2024 |
DeepH-2: Enhancing deep-learning electronic structure via an equivariant local-coordinate transformer Y Wang, H Li, Z Tang, H Tao, Y Wang, Z Yuan, Z Chen, W Duan, Y Xu arXiv preprint arXiv:2401.17015, 2024 | 7 | 2024 |
Equivariant neural network force fields for magnetic materials Z Yuan, Z Xu, H Li, X Cheng, H Tao, Z Tang, Z Zhou, W Duan, Y Xu Quantum Frontiers 3 (1), 8, 2024 | 6 | 2024 |
Efficient hybrid density functional calculation by deep learning Z Tang, H Li, P Lin, X Gong, G Jin, L He, H Jiang, X Ren, W Duan, Y Xu arXiv preprint arXiv:2302.08221, 2023 | 6 | 2023 |
Universal materials model of deep-learning density functional theory Hamiltonian Y Wang, Y Li, Z Tang, H Li, Z Yuan, H Tao, N Zou, T Bao, X Liang, Z Chen, ... Science Bulletin, 2024 | 2 | 2024 |
Neural-network density functional theory Y Li, Z Tang, Z Chen, M Sun, B Zhao, H Li, H Tao, Z Yuan, W Duan, Y Xu arXiv preprint arXiv:2403.11287, 2024 | 2 | 2024 |
Improving density matrix electronic structure method by deep learning Z Tang, N Zou, H Li, Y Wang, Z Yuan, H Tao, Y Li, Z Chen, B Zhao, M Sun, ... arXiv preprint arXiv:2406.17561, 2024 | 1 | 2024 |
Deep learning density functional theory Hamiltonian in real space Z Yuan, Z Tang, H Tao, X Gong, Z Chen, Y Wang, H Li, Y Li, Z Xu, M Sun, ... arXiv preprint arXiv:2407.14379, 2024 | | 2024 |
Deep-Learning Database of Density Functional Theory Hamiltonians for Twisted Materials T Bao, R Xu, H Li, X Gong, Z Tang, J Fu, W Duan, Y Xu arXiv preprint arXiv:2404.06449, 2024 | | 2024 |