3 citations · 7 across the 5 of their papers we have counts for
5 papers
Nonadiabatic Molecular Dynamics on Real-time Excited-State Surfaces via Machine Learning Hamiltonians
Changwei Zhang, Yang Zhong, Zhi-Guo Tao +6
Simulating the coupled, nonequilibrium dynamics of electrons and nuclei is a central challenge in chemistry, physics, and materials science, governing phenomena from photocatalysis…
Advancing Nonadiabatic Molecular Dynamics Simulations for Solids: Achieving Supreme Accuracy and Efficiency with Machine Learning
Changwei Zhang, Yang Zhong, Zhi-Guo Tao +7
Non-adiabatic molecular dynamics (NAMD) simulations have become an indispensable tool for investigating excited-state dynamics in solids. In this work, we propose a general framewo…
Towards Ultimate Memory with Single-Molecule Multiferroics
Yali Yang, Liangliang Hong, Laurent Bellaiche +1
The demand for high-density storage is urgent in the current era of data explosion. Recently, several single-molecule (-atom) magnets/ferroelectrics have been reported to be promis…
Evaluating Gilbert Damping in Magnetic Insulators from First Principles
Liangliang Hong, Changsong Xu, Hongjun Xiang
Magnetic damping has a significant impact on the performance of various magnetic and spintronic devices, making it a long-standing focus of research. The strength of magnetic dampi…
Triple-Well Charge Density Wave Transition Driven by Cooperation between Peierls-like Effect and Antiferromagnetic Order in FeGe
Binhua Zhang, Junyi Ji, Changsong Xu +1
Kagome materials provide a promising platform to explore intriguing correlated phenomena including magnetism, charge density wave (CDW), and nontrivial band topology. Recently, a C…