24 citations · 25 across the 7 of their papers we have counts for
4 papers · 1 filter
Fractionalized Kohn-Sham Scheme for Strongly Correlated Electrons
Bo Zhao, Jingyu Zhao, Zheng Zhu +2
We propose to expand the territory of density functional theory to strongly correlated electrons by reformulating the Kohn-Sham scheme in the representation of fractionalized parti…
Deep learning density functional theory Hamiltonian in real space
Zilong Yuan, Zechen Tang, Honggeng Tao +11
Deep learning electronic structures from ab initio calculations holds great potential to revolutionize computational materials studies. While existing methods proved success in dee…
Improving density matrix electronic structure method by deep learning
Zechen Tang, Nianlong Zou, He Li +10
The combination of deep learning and ab initio materials calculations is emerging as a trending frontier of materials science research, with deep-learning density functional theory…
Neural-network Density Functional Theory Based on Variational Energy Minimization
Yang Li, Zechen Tang, Zezhou Chen +7
Deep-learning density functional theory (DFT) shows great promise to significantly accelerate material discovery and potentially revolutionize materials research. However, current…