239 citations · 476 across the 4 of their papers we have counts for
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cond-mat.mtrl-sci2021★ 239 cited
Deep-Learning Density Functional Theory Hamiltonian for Efficient ab initio Electronic-Structure Calculation
He Li, Zun Wang, Nianlong Zou +5
The marriage of density functional theory (DFT) and deep learning methods has the potential to revolutionize modern computational materials science. Here we develop a deep neural n…
cond-mat.mtrl-sci2020★ 109 cited
Modulating Electronic Structure of Monolayer Transition Metal Dichalcogenides by Substitutional Nb-Doping
Lei Tang, Runzhang Xu, Junyang Tan +9
Modulating electronic structure of monolayer transition metal dichalcogenides (TMDCs) is important for many applications and doping is an effective way towards this goal, yet is ch…