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"Overcoming the barrier of orbital-free density functional theory for ..."
He Zhang et al. (2024)
- He Zhang, Siyuan Liu
, Jiacheng You, Chang Liu
, Shuxin Zheng
, Ziheng Lu, Tong Wang, Nanning Zheng, Bin Shao
:
Overcoming the barrier of orbital-free density functional theory for molecular systems using deep learning. Nat. Comput. Sci. 4(3): 210-223 (2024)
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