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).
DavidGraduate Student

David Deibert
B.S.  University of Nebraska Lincoln

 Ab initio studies of gold, doped gold clusters and their structural evolution.
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.
jun_daiResearch Assistant Professor

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

Ab initio studies of electronic, magnetic, structural, and transport properties of nanostructured materials.
Yurui GaoPostdoc

Yurui Gao

Ph.D. Institute of physics, CAS

Computational and theoretical studies on battery materials and liquids.

 Minggang Ju
Ph.D. University of Science and Technology of China
Ab initio studies of energy materials and excited state of optical materials.
Yuan LiuVisiting Postdoc

Yuan Liu

Ph.D. Linköping University

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

Keke Mao

Lecturer in Anhui University of Technology, Maanshan,  China

Computational Studies of Reaction Mechanism on Low Dimensional catalysts.
Visiting Postdoc

Jinrong Yang

Ph.D. Shanghai Institute of Applied Physics, Chinese Academy of Sciences

Theoretical studies of water molecules interaction with nanoclusters.

Wei ZhangVisiting Postdoc

Wei Zhang

Ph.D. Beijing University of Chemical Technology

Computational Studies of Reaction Mechanism on Nanocluster catalysts.

Weiduo ZhuVisiting Postdoc

Weiduo Zhu

Postdoc, University of Science and Technology of China

My research focuses on molecular simulations of new structures and phase transitions of water.
LingliuVisiting Graduate Student

Ling Liu

Ph.D. candidate, Beijing Institute of Technology

Theoretical studies on the new particle formation mechanism of atmospheric aerosol involving chemical reactions.