107 citations · 188 across the 4 of their papers we have counts for
4 papers
Deep-Learning Database of Density Functional Theory Hamiltonians for Twisted Materials
Ting Bao, Runzhang Xu, He Li +5
Moiré-twisted materials have garnered significant research interest due to their distinctive properties and intriguing physics. However, conducting first-principles studies on such…
Deep-learning density functional perturbation theory
He Li, Zechen Tang, Jingheng Fu +5
Calculating perturbation response properties of materials from first principles provides a vital link between theory and experiment, but is bottlenecked by the high computational c…
Layer group classification of two-dimensional materials
Jingheng Fu, Mikael Kuisma, Ask Hjorth Larsen +3
The symmetry of a crystal structure with a three-dimensional (3D) lattice can be classified by one of the 230 space group types. For some types of crystals, e.g. crystalline films,…
High-Temperature Quantum Anomalous Hall Insulators in Lithium-Decorated Iron-Based Superconductor Materials
Yang Li, Jiaheng Li, Meng Ye +5
Quantum anomalous Hall (QAH) insulator is the key material to study emergent topological quantum effects, but its ultralow working temperature limits experiments. Here, by first-pr…