159 citations · 972 across the 18 of their papers we have counts for
7 papers · 1 filter
Transfer learning relaxation, electronic structure and continuum model for twisted bilayer MoTe
Ning Mao, Cheng Xu, Jiangxu Li +6
Large-scale moiré systems are extraordinarily sensitive, with even minute atomic shifts leading to significant changes in electronic structures. Here, we investigate the lattice re…
Layer-by-layer phase transformation in TiO revealed by machine learning molecular dynamics simulations
Mingfeng Liu, Jiantao Wang, Junwei Hu +11
Reconstructive phase transitions involving breaking and reconstruction of primary chemical bonds are ubiquitous and important for many technological applications. In contrast to di…
Symmetry breaking induced insulating electronic state in PbCu(PO)O
Jiaxi Liu, Tianye Yu, Jiangxu Li +5
The recent experimental claim of room-temperature ambient-pressure superconductivity in a Cu-doped lead-apatite (LK-99) has ignited substantial research interest in both experiment…
Maximally Localized Wannier Orbitals, Interaction Models and Fractional Quantum Anomalous Hall Effect in Twisted Bilayer MoTe2
Cheng Xu, Jiangxu Li, Yong Xu +2
We investigate the moiré band structures and the strong correlation effects in twisted bilayer MoTe for a wide range of twist angles, employing a combination of various techniq…
First-principles study on the electronic structure of PbCu(PO)O (=0, 1)
Junwen Lai, Jiangxu Li, Peitao Liu +2
Recently, Lee et al. reported the experimental discovery of room-temperature ambient-pressure superconductivity in a Cu-doped lead-apatite (LK-99) (arXiv:2307.12008, arXiv:2307.120…
Hardness and fracture toughness models by symbolic regression
Jinbin Zhao, Peitao Liu, Jiantao Wang +5
Superhard materials with good fracture toughness have found wide industrial applications, which necessitates the development of accurate hardness and fracture toughness models for…
On parent structures of near-ambient nitrogen-doped lutetium hydride superconductor
Mingfeng Liu, Xiangyang Liu, Jiangxu Li +4
Recently, near-ambient superconductivity has been experimentally evidenced in a nitrogen-doped lutetium hydride by Dasenbrock-Gammon \emph{et al.} [Nature 615, 244 (2023)], which y…