58 citations · 169 across the 26 of their papers we have counts for
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Topological surface states in γ-PtBi evidenced by scanning tunneling microscopy
Yunkai Guo, Jingming Yan, Wen-Han Dong +11
For the application of topological materials, the specific location of their topological surface states with respect to the Fermi level are important. γ-PtBi2 has been demonstrated…
Spin-chirality-driven second-harmonic generation in two-dimensional magnet CrSBr
Dezhao Wu, Yong Xu, Meng Ye +1
The interplay between magnetism and light can create abundant optical phenomena. Here, we demonstrate the emergence of an unconventional magnetization-induced second-harmonic gener…
Transfer learning electronic structure: millielectron volt accuracy for sub-million-atom moiré semiconductor
Ting Bao, Ning Mao, Wenhui Duan +3
The integration of density functional theory (DFT) with machine learning enables efficient \textit{ab initio} electronic structure calculations for ultra-large systems. In this wor…
ABACUS: An Electronic Structure Analysis Package for the AI Era
Weiqing Zhou, Daye Zheng, Qianrui Liu +55
ABACUS (Atomic-orbital Based Ab-initio Computation at USTC) is an open-source software for first-principles electronic structure calculations and molecular dynamics simulations. It…