He Li, Zun Wang, Nianlong Zou, Meng Ye, Runzhang Xu, Xiaoxun Gong, Wenhui Duan, Yong Xu. Deep-learning density functional theory Hamiltonian for efficient ab initio electronic-structure calculation. Nat. Comput. Sci., 2(6):367-377, 2022. [doi]
@article{LiWZYXGDX22,
title = {Deep-learning density functional theory Hamiltonian for efficient ab initio electronic-structure calculation},
author = {He Li and Zun Wang and Nianlong Zou and Meng Ye and Runzhang Xu and Xiaoxun Gong and Wenhui Duan and Yong Xu},
year = {2022},
doi = {10.1038/s43588-022-00265-6},
url = {https://doi.org/10.1038/s43588-022-00265-6},
researchr = {https://researchr.org/publication/LiWZYXGDX22},
cites = {0},
citedby = {0},
journal = {Nat. Comput. Sci.},
volume = {2},
number = {6},
pages = {367-377},
}