267 citations · 583 across the 17 of their papers we have counts for
17 papers
Full-scale ab initio simulations of laser-driven atomistic dynamics
Qiyu Zeng, Bo Chen, Shen Zhang +4
The coupling of excited states and ionic dynamics is the basic and challenging point for the materials response at extreme conditions. In laboratory, the intense laser produces tra…
Three-step Formation of Diamonds in Shock-compressed Hydrocarbons: Decomposition, Species Separation, and Nucleation
Bo Chen, Qiyu Zeng, Xiaoxiang Yu +4
The accumulation and circulation of carbon-hydrogen dictate the chemical evolution of ice giant planets. Species separation and diamond precipitation have been reported in carbon-h…
Towards Large-Scale and Spatio-temporally Resolved Diagnosis of Electronic Density of States by Deep Learning
Qiyu Zeng, Bo Chen, Xiaoxiang Yu +4
Modern laboratory techniques like ultrafast laser excitation and shock compression can bring matter into highly nonequilibrium states with complex structural transformation, metall…
Strong bulk-surface interaction dominated in-plane anisotropy of electronic structure in GaTe
Kang Lai, Sailong Ju, Hongen Zhu +11
Recently, intriguing physical properties have been unraveled in anisotropic layered semiconductors, in which the in-plane electronic band structure anisotropy often originates from…
Finite temperature density functional theory investigation to the nonequilibrium transient warm dense state created by laser excitation
Hengyu Zhang, Shen Zhang, Dongdong Kang +2
We present a finite-temperature density functional theory investigation of the nonequilibrium transient electronic structure of warm dense Li, Al, Cu, and Au created by laser excit…
Reduced Ionic Diffusion by the Dynamic Electron-Ion Collisions in Warm Dense Hydrogen
Yunpeng Yao, Qiyu Zeng, Ke Chen +4
The dynamic electron-ion collisions play an important rolein determining the static and transport properties of warmdense matter (WDM). Electron force field (eFF) method is applied…
Review of the First Charged-Particle Transport Coefficient Comparison Workshop
P. E. Grabowski, S. B. Hansen, M. S. Murillo +42
We present the results of the first Charged-Particle Transport Coefficient Code Comparison Workshop, which was held in Albuquerque, NM October 4-6, 2016. In this first workshop, sc…
Atomistic Mechanism of Phase Transition in Shock Compressed Gold Revealed by Deep Potential
Bo Chen, Qiyu Zeng, Han Wang +4
A detailed understanding of the material response to rapid compression is challenging and demanding. For instance, the element gold under dynamic compression exhibits complex phase…
Investigation of plasmonic evolution of atomically size-selected Au clusters by electron energy loss spectrum--from solid state to molecular scale
Siqi Lu, Lin Xie, Kang Lai +13
Versatile quantum modes emerge for plasmon describing the collective oscillations of free electrons in metallic nanoparticles when the particle sizes are greatly reduced. Rather th…
Towards the same line of liquid-liquid phase transition of dense hydrogen from various theoretical predictions
Binbin Lu, Dongdong Kang, Dan Wang +2
For a long time, there have been huge discrepancies between different models and experiments concerning the liquid-liquid phase transition (LLPT) in dense hydrogen. In this work, w…
Study of electron emission from 1D nanomaterials under super high field
Chi Li, Ke Chen, Mengxue Guan +9
Photoemission driven by a strong electric field of near-infrared or visible light, referred to as strong-field photoemission, produces attosecond electron pulses that are synchroni…
Quantum path integral molecular dynamics simulations on transport properties of dense liquid helium
Dongdong Kang, Jiayu Dai, Huayang Sun +1
Transport properties of dense liquid helium under the conditions of planet's core and cool atmosphere of white dwarfs have been investigated by using the improved centroid path-int…
Revealing the Complex Transport Behaviors in Warm Dense Hydrogen by Including Nuclear Quantum Effects
Dongdong Kang, Huayang Sun, Jiayu Dai +4
Nuclear quantum effects (NQEs) on the structures and transport properties of dense liquid hydrogen at densities of 10-100 g/cm3 and temperatures of 0.1-1 eV are fully assessed usin…
Structure, equation of state, diffusion and viscosity of warm dense Fe under the conditions of giant planet core
Jiayu Dai, Yong Hou, Dongdong Kang +3
Fe exists abundantly in the universe. In particular, the dynamical structures and transport properties of warm dense Fe are crucial for understanding the evolution and structures o…
Dynamical Ionic Clusters with Flowing Electron Bubbles from Warm to Hot Dense Iron along the Hugoniot Curve
Jiayu Dai, Dongdong Kang, Zengxiu Zhao +2
The complex structures of warm and hot dense matter are essential to understand the behaviors of materials in high energy density physics processes and provide new features of matt…
Quantum Langevin molecular dynamics determination of the solar-interior equation of state
Jiayu Dai, Yong Hou, Jianmin Yuan
The equation of state (EOS) of the solar interior is accurately and smoothly determined from \textit{ab initio} simulations named quantum Langevin molecular dynamics (QLMD) in the…
Adsorption of molecular oxygen on doped graphene: atomic, electronic and magnetic properties
Jiayu Dai, Jianmin Yuan
Adsorption of molecular oxygen on B-, N-, Al-, Si-, P-, Cr- and Mn-doped graphene is theoretically studied using density functional theory in order to clarify if O2 can change the…