17 citations · 22 across the 14 of their papers we have counts for
5 papers · 1 filter
Latent Genetic Algorithm for Crystal Structure Prediction
Kaixin Zheng, Wanjian Yin, Hongyu Yu +1
Predicting crystal structures requires navigating rugged energy landscapes in which favorable local motifs must be inherited across candidates with incompatible cells, densities, a…
Unified definition of ferroelectricity
Wei Luo, Shihan Deng, Hongjun Xiang +1
Recent theoretical and experimental advances in quantum ferroelectrics suggest that ferroelectricity can also emerge in non-polar space group, highlighting the limitations of conve…
A Fully Ab-Initio Spin-Lattice Dynamics Framework for Magnetic Materials
Xianxi Zhang, Hongyu Yu, Liangliang Hong +1
Coupled spin-lattice dynamics (SLD) underlie a wide range of magnetic phenomena, yet a unified first-principles framework that propagates both degrees of freedom without empirical…
Tangent-Plane Evidential Uncertainty in Active Learning for Magnetic Interatomic Potentials
Yang Cheng, Hongyu Yu, Hongjun Xiang
Magnetic interatomic potentials need to account for coupled lattice and spin degrees of freedom, yet constructing reliable training sets remains costly because noncollinear first-p…
Topological-transition-driven Giant Enhancement of Second-harmonic Generation in Ferroelectric Bismuth Monolayer
Wen-Zheng Chen, Hongjun Xiang, Yusheng Hou
The interplay between band topology and light in condensed materials could unlock intriguing nonlinear optical phenomena, enabling modern photonic technologies such as quantum ligh…