Current Members

Education Background
Research Interests
zeng Principal Investigator

Xiao Cheng Zeng
Ph.D. Ohio State University

Research activities in my group are mainly focused on three areas: (1) computational and theoretical studies of liquids and confined fluids, water (ice) in particular, and related topics such as interfaces, hydrophobicity, wetting, melting, surface tensions, nucleation, and solvation. (2) Structural evolution of clusters (in particular Au, Si, B and water), and nanocatalysis. (3) Computer-aided design and study of nanostructured materials (nanotubes, nanofilms, nanoribbons and nanoparticles).
yang hongGraduate Student

Yang Hong
B.S.  Iowa State University

 Molecular Dynamics studies of material’s thermal and elastic properties.
Yinglu JiaGraduate Student

Yinglu Jia
M.E. Xi’an Jiaotong University

 Ab initio studies of ferroic and energy materials.
Jian-JiangGraduate Student

Jian Jiang
B.S. Southeast University

My research focuses on computational nanocatalysis and conduction in nanoscale systems.
navneet_khetrapalGraduate Student

Navneet Khetrapal
M.S.Punjabi University

Ab initio studies of gold and gold alloy clusters and nanocatalysis.
Seema PandeGraduate Student

Seema Pande
M.S.  Pune University

 Ab initio study of gold,doped gold clusters and their structural evolution.
Jie-ZhongGraduate Student

Jie Zhong
M.S. China Universtiy of Petroleum

 Research interest: Water Cluster, Wettability.

Jun Dai
Ph. D. University of Science and Technology of China

Ab initio studies of electronic, magnetic, structural, and transport properties of nanostructured materials.
 Liang Ma
Ph.D. Southeast University
Multiple scales simulation study on growth/synthesis mechanisms and properties of graphene nanostructures.
 Minggang Ju
Ph.D. University of Science and Technology of China
Ab initio studies of energy materials and excited state of optical materials.

Wenwu Xu

Ph.D. Dalian Institute of Chemical Physics, Chinese Academy of Science

Computational Studies of Gold Nanoclusters and Nanocatalysis.
Chongqin ZhuPostdoc

Chongqin Zhu

Ph.D. Institute of Physics, Chinese Academy of Science

Computational and theoretical studies of liquids at nanoscale.
Yuan LiuVisiting Postdoc

Yuan Liu

Ph.D. Linköping University

Theoretical studies on porous ices, heterogeneous ice nucleation.
Keke MaoVisiting Postdoc

Keke Mao

Lecture in Anhui University of Technology, Maanshan,  China

Computational Studies of Reaction Mechanism on Low Dimensional catalysts.
Honghui WuVisiting Postdoc

Honghui Wu

Ph.D. Hong Kong University of Science and Technology

Multiscale simulation of 2D materials and the interaction with water/ice.

Yu GuoVisitingGraduate Student

Yu Guo

Ph.D. candidate, Dalian University of Technology

Computational studies on structural and electronic properties of 2D materials.

Hao LiVisiting Graduate Student

Hao Li

Ph.D. candidate, Beijing Institute of Technology

Theoretical studies on the formation mechanism of aerosol new particle in the atmosphere.

Qisheng WuVisiting Graduate Student
 Qisheng Wu

Ph.D. candidate, Southeast University

Computational design and first-principles calculations of new 2D materials.