239 citations · 476 across the 4 of their papers we have counts for
4 papers
General framework for E(3)-equivariant neural network representation of density functional theory Hamiltonian
Xiaoxun Gong, He Li, Nianlong Zou +3
Combination of deep learning and ab initio calculation has shown great promise in revolutionizing future scientific research, but how to design neural network models incorporating…
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…
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…
Pressure-dependent Intermediate Magnetic Phase in Thin FeGeTe Flakes
Heshen Wang, Runzhang Xu, Cai Liu +10
We investigated the evolution of ferromagnetism in layered FeGeTe flakes under different pressures and temperatures using in situ magnetic circular dichroism (MCD) spectros…