Следене
He Li (李贺)
He Li (李贺)
Други именаH. Li, He Li, 李贺
Institute for Advanced Study, Tsinghua University
Потвърден имейл адрес: mails.tsinghua.edu.cn
Заглавие
Позовавания
Позовавания
Година
Deep-learning density functional theory Hamiltonian for efficient ab initio electronic-structure calculation
H Li, Z Wang, N Zou, M Ye, R Xu, X Gong, W Duan, Y Xu
Nature Computational Science 2 (6), 367-377, 2022
1422022
General framework for E (3)-equivariant neural network representation of density functional theory Hamiltonian
X Gong, H Li, N Zou, R Xu, W Duan, Y Xu
Nature Communications 14 (1), 2848, 2023
702023
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
372023
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
172024
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
122024
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
102024
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
82023
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
62024
Ab initio artificial intelligence: Future research of Materials Genome Initiative
H Li, Y Xu, W Duan
Materials Genome Engineering Advances 1 (2), e16, 2023
52023
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
32024
Neural-network density functional theory based on variational energy minimization
Y Li, Z Tang, Z Chen, M Sun, B Zhao, H Li, H Tao, Z Yuan, W Duan, Y Xu
Physical Review Letters 133 (7), 076401, 2024
22024
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
22024
A deep equivariant neural network approach for efficient hybrid density functional calculations
Z Tang, H Li, P Lin, X Gong, G Jin, L He, H Jiang, X Ren, W Duan, Y Xu
Nature Communications 15 (1), 8815, 2024
12024
Unbiased screening of deep-ultraviolet and mid-infrared nonlinear optical crystals: Long-neglected covalent and mixed-cation motifs
J Wang, M Ye, X Guo, Y Li, N Zou, H Li, Z Zhang, S Zhao, Z Xu, H Chen, ...
Physical Review Materials 8 (8), 085202, 2024
12024
Deep Band Crossings Enhanced Nonlinear Optical Effects
N Zou, H Li, M Ye, H Chen, M Sun, R Guo, Y Liu, BL Gu, W Duan, Y Xu, ...
arXiv preprint arXiv:2409.01682, 2024
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
Deep learning and first-principles calculations
LI He, D Wen-Hui, XU Yong
PHYSICS 53 (7), 442-449, 2024
2024
深度学习与第一性原理计算
李贺, 段文晖, 徐勇
物理 53 (7), 442-449, 2024
2024
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