184 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Chinese Academy of SciencesCN7 papers
- South China Normal UniversityCN4 papers
- University of Chinese Academy of SciencesCN4 papers
- Qingdao UniversityCN2 papers
- Agency for Science, Technology and ResearchSG1 paper
- Anhui UniversityCN1 paper
- Centro de Inovação em Engenharia e Tecnologia IndustrialPT1 paper
- Dalian Institute of Chemical PhysicsCN1 paper
- Environmental Research InstituteGB1 paper
- Imperial College LondonGB1 paper
- Institute for Infocomm ResearchSG1 paper
- Instituto Superior de Engenharia do Porto1 paper
9 papers
Initial Sampling in Symmetrical Quasiclassical Dynamics Based on Li-Miller Mapping Hamiltonian
Jie Zheng, Yu Xie, Sheng-shi Jiang +3
A symmetrical quasiclassical (SQC) dynamics approach based on the Li-Miller (LM) mapping Hamiltonian (SQC-LM) was employed to describe nonadiabatic dynamics. In principle, the diff…
Performance of trajectory surface hopping method in the treatment of ultrafast intersystem crossing dynamics
Jiawei Peng, Yu Xie, Deping Hu +1
We carried out extensive studies to examine the performance of the fewest-switches surface hopping method in the description of the ultrafast intersystem crossing dynamic of variou…
Electronic and Phonon Instabilities in Bilayer Graphene under Applied External Bias
E. Lora da Silva, M. C. Santos, J. M. Skelton +4
We have performed electronic-structure and lattice-dynamics calculations on the AB and AA structures of bilayer graphene. We study the effect of external electric fields and compar…
Analysis of Trajectory Similarity and Configuration Similarity in On-the-Fly Surface-Hopping Simulation on Multi-Channel Nonadiabatic Photoisomerization Dynamics
Xusong Li, Deping Hu, Yu Xie +1
We propose an 'automatic' approach to analyze the results of the on-the-fly trajectory surface hopping simulation on the multi-channel nonadiabatic photoisomerization dynamics by c…
Performance Evaluation of the Symmetrical Quasi-Classical Dynamics Method based on Meyer-Miller Mapping Hamiltonian in the Treatment of Site-Exciton Models
Yu Xie, Jie Zheng, Zhenggang Lan
The symmetrical quasi-classical dynamics method based on the Meyer-Miller mapping Hamiltonian (MM-SQC) shows the great potential in the treatment of the nonadiabatic dynamics of co…
Inclusion of machine learning kernel ridge regression potential energy surfaces in on-the-fly nonadiabatic molecular dynamics simulation
Deping Hu, Yu Xie, Xusong Li +2
We discuss a theoretical approach that employs machine learning potential energy surfaces (ML-PESs) in the nonadiabatic dynamics simulation of polyatomic systems by taking 6-aminop…
The effect of hydroxyl on dye-sensitized solar cells assembled with TiO2 nanorods
Lijian Meng, Tao Yang, Sining Yun +1
TiO2 nanorods have been prepared on ITO substrates by dc reactive magnetron sputtering technique. The hydroxyl groups have been introduced on the nanorods surface. The structure an…
Microbial community pattern detection in human body habitats via ensemble clustering framework
Peng Yang, Xiaoquan Su, Le Ou-Yang +3
The human habitat is a host where microbial species evolve, function, and continue to evolve. Elucidating how microbial communities respond to human habitats is a fundamental and c…
Ballistic Thermal Rectification in Asymmetric Three-Terminal Mesoscopic Dielectric Systems
Yi Ming, Zhe Xian Wang, Ze Jun Ding +1
By coupling the asymmetric three-terminal mesoscopic dielectric system with a temperature probe, at low temperature, the ballistic heat flux flow through the other two asymmetric t…