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Overcoming the Barrier of Orbital-Free Density Functional Theory for Molecular Systems Using Deep Learning
28 September 2023
He Zhang
Siyuan Liu
Jiacheng You
Chang-Shu Liu
Shuxin Zheng
Ziheng Lu
Tong Wang
Nanning Zheng
Jia Zhang
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Papers citing
"Overcoming the Barrier of Orbital-Free Density Functional Theory for Molecular Systems Using Deep Learning"
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Title
Learning Equivariant Non-Local Electron Density Functionals
Nicholas Gao
Eike Eberhard
Stephan Günnemann
84
3
0
10 Oct 2024
NeuralSCF: Neural network self-consistent fields for density functional theory
Feitong Song
Ji Feng
68
1
0
22 Jun 2024
1