1.2k citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Peking UniversityCN103 papers
- Chinese Academy of SciencesCN69 papers
- University of Chinese Academy of SciencesCN33 papers
- Institute of ChemistryCN27 papers
- Institute of PhysicsPL27 papers
- State Key Laboratory of Rare Earth Materials Chemistry and Application17 papers
- University of Science and Technology of ChinaCN13 papers
- Collaborative Innovation Center of Quantum MatterCN11 papers
- Songshan Lake Materials LaboratoryCN11 papers
- Beijing Academy of Quantum Information SciencesCN10 papers
- State Key Laboratory for Structural Chemistry of Unstable and Stable Species8 papers
- Beijing Normal UniversityCN7 papers
5 papers · 2 filters
Critical role of quantum dynamical effects in the Raman spectroscopy of liquid water
Xinzijian Liu, Jian Liu
Understanding the Raman spectroscopy at the atomistic level is important for the elucidation of dynamical processes in liquid water. Because the polarizability (or its time derivat…
Path Integral Molecular Dynamics for Exact Quantum Statistics of Multi-Electronic-State Systems
Xinzijian Liu, Jian Liu
An exact approach to compute physical properties for general multi-electronic-state (MES) systems in thermal equilibrium is presented. The approach is extended from our recent prog…
Stationary state distribution and efficiency analysis of the Langevin equation via real or virtual dynamics
Dezhang Li, Xu Han, Yichen Chai +5
Langevin dynamics has become a popular tool to simulate the Boltzmann equilibrium distribution. When the repartition of the Langevin equation involves the exact realization of the…
A unified thermostat scheme for efficient configurational sampling for classical/quantum canonical ensembles via molecular dynamics
Zhijun Zhang, Xinzijian Liu, Zifei Chen +3
We show a unified second-order scheme for constructing simple, robust and accurate algorithms for typical thermostats for configurational sampling for the canonical ensemble. When…
Intrinsic Charge Transport in Stanene: Roles of Bucklings and Electron-Phonon Couplings
Yuma Nakamura, Tianqi Zhao, Jinyang Xi +3
The intrinsic charge transport of stanene is investigated by using density function theory and density function perturbation theory coupled with Boltzmann transport equations from…