52 citations · 135 across the 21 of their papers we have counts for
5 papers · 1 filter
In-depth Study of Spin- and Momentum-Dependent Interaction Potentials Between Two Spin-1/2 Fermions Mediated by Light Spin-0 Particles
Yang Zhong, Zhi-Hui Guo, Hai-Qing Zhou
We present a calculation by including the relativistic and off-shell contributions to the interaction potentials between two spin-1/2 fermions mediated by the exchange of light spi…
Efficient prediction of potential energy surface and physical properties with Kolmogorov-Arnold Networks
Rui Wang, Hongyu Yu, Yang Zhong +1
The application of machine learning methodologies for predicting properties within materials science has garnered significant attention. Among recent advancements, Kolmogorov-Arnol…
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…
Identifying Direct Bandgap Silicon Structures with High-throughput Search and Machine Learning Methods
Rui Wang, Hongyu Yu, Yang Zhong +1
Utilizations of silicon-based luminescent devices are restricted by the indirect-gap nature of diamond silicon. In this study, the high-throughput method is employed to expedite di…
Universal Machine Learning Kohn-Sham Hamiltonian for Materials
Yang Zhong, Hongyu Yu, Jihui Yang +3
While density functional theory (DFT) serves as a prevalent computational approach in electronic structure calculations, its computational demands and scalability limitations persi…