Current Members

Prof. YiJing Yan

Position: Professor, Department of Chemical Physics and Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China

Tel: +86-551-63607857

Email: yanyj@ustc.edu.cn

Education and Research Experience:

  • B.Sc. (1/1982): Chemistry, Fudan University, Shanghai, China
  • Ph.D. (2/1989): Chemistry, University of Rochester, Rochester, NY, USA
  • Postdoctoral Research Associate (2/1988-4/1990): Department of Chemistry, University of Rochester
  • Postdoctoral Research Associate (5/1990-5/1992): Department of Chemistry, University of California at San Diego
  • Research Associate Professor (6/1992-1/1994): Department of Chemistry and Institute for Nonlinear Science, University of California, San Diego, La Jolla, CA, USA
  • Professor (7/2004-6/2016); Associate Professor (1/1998-6/2004); Assistant Professor (2/1994-12/1997): Department of Chemistry, Hong Kong University of Science and Technology
  • Professor (4/2010): Department of Chemical Physics and Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China


Prof. RuiXue Xu

Position: Professor, Department of Chemical Physics and Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China

Tel: +86-551-63607597

Email: rxxu@ustc.edu.cn

Education and Research Experience:

  • B.Sc. (9/1993-7/1997): Physical Chemistry, Department of Chemical Physics, USTC
  • Ph.D. (9/1997-7/2002): Physical Chemistry, Department of Chemical Physics, USTC
  • Postdoctoral Research Associate (11/2002-11/2003): Department of Chemistry, Hong Kong University of Science and Technology
  • Associate Professor (11/2003-6/2010): Department of Chemical Physics and Hefei National Laboratory for Physical Sciences at the Microscale, USTC
  • Visiting Associate Professor (3/2006-2/2007): Department of Chemistry, Duke University
  • Professor(7/2010): Department of Chemical Physics and Hefei National Laboratory for Physical Sciences at the Microscale, USTC


Prof. Xiao Zheng

Position: Professor, Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China

Tel: +86-551-63600310

Email: xz58@ustc.edu.cn

Education and Research Experience:

  • B.Sc. (1998-2002): Chemistry, Department of Chemical Physics, USTC
  • Ph.D. (2002-2006): Chemistry, Department of Chemistry, The University of Hong Kong
  • Postdoctoral Research Associate (2007-2009): Department of Chemistry, Hong Kong University of Science and Technology
  • Visiting Scholar (2008-2009): Department of Chemistry, Duke University
  • Research Scientist (2008-2010): Department of Chemistry, Duke University
  • Professor (2010): Hefei National Laboratory for Physical Sciences at the Microscale, USTC


LiJuan Ding

Position: Secretary, Responsible for group's finance & student administration; University of Science and Technology of China

Tel: +86-551-63602302

Email: dingjuan@ustc.edu.cn

Lyzhou Ye

Position: Postdoctoral fellow, Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China

Email: lzye@ustc.edu.cn

Research Interests:

Study characterization of strongly correlated quantum impurity systems using the HEOM approach; the local temperatures of quantum systems far from equilibrium

Yuan Kong

Position: Postdoctoral fellow, University of Science and Technology of China

Email: kongyuan@mail.ustc.edu.cn

Research Interests:

Theoretical and computational chemistry

Yao Wang

Position: Postdoctoral fellow, University of Science and Technology of China

Email: wy2010@mail.ustc.edu.cn

Research Interests:

Topics related to quantum dissipative process

QingFeng Zhuang

Position: Ph.D. student

Email: qfzhuang@mail.ustc.edu.cn


Research Interests:


Hong Gong

Position: Ph.D. student

Email: gongh@mail.ustc.edu.cn

Research Interests:

Theoretical and computational physics

DaWei He

Position: Ph.D. student

Email: dada747@mail.ustc.edu.cn

Research Interests:


JingChun Wang


Position: Ph.D. student

Email: wjchun@mail.ustc.edu.cn

Research Interests:

Quantum Chemistry with machine learning

DaoChi Zhang


Position: Ph.D. student

Email: zdc95@mail.ustc.edu.cn

Research Interests:


Zihao Chen

Position: Ph.D. student

Email: pb142060@mail.ustc.edu.cn

Research Interests:


Xu Ding


Position: Ph.D. student

Email: dingxu7@mail.ustc.edu.cn

Research Interests:


Lijun Zuo


Position: Ph.D. student

Email: ljzuo@mail.ustc.edu.cn

Research Interests:

The first principle study of the magnetic single-molecule devices

Zipeng An


Position: Ph.D. student

Email: azpmlzy@mail.ustc.edu.cn

Research Interests:

develop GSC method with PySCF; DFT calculation with machine learning

Jiaan Cao

Position: Ph.D. student

Email: jacao047@mail.ustc.edu.cn

Research Interests:


Xiang Li

Position: Ph.D. student

Email:

Research Interests:


Jialin Pan

Position: Ph.D. student

Email: panjl@mail.ustc.edu.cn

Research Interests:


Liwei Ge

Position: Ph.D. student

Email:

Research Interests:


Wenwen Shi

Position: Ph.D. student

Email:

Research Interests:


Yun Peng

Position: M.Sc. student

Research Interests:


Long Cao

Position: M.Sc. student

Email: caolong@mail.ustc.edu.cn

Research Interests:


Cun Long


Position: M.Sc. student

Email: longcun@mail.ustc.edu.cn

Research Interests:


Suxiang Lv

Position: M.Sc. student

Research Interests:


Yapeng Zhang

Position: M.Sc. student

Research Interests:


Haoyang Qi


Position: M.Sc. student

Email: qihy@mail.ustc.edu.cn

Research Interests:


Yu Su

Position: M.Sc. student

Research Interests:


Zifan Zhu

Position: M.Sc. student

Research Interests:


Former Members

HouDao Zhang

Position: Associate Researcher, Department of Chemical Physics, University of Science and Technology of China

Email: hdz@ustc.edu.cn

Research Interests:

Development of fundamental chemistry theory and numerical methods for quantum dynamics of open complex systems; quantum rate theory; Fano interference; chemical reactions and nonlinear spectroscopies in condensed phases

Dong Hou

Position: Postdoctoral fellow, Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China

Email: houdong@ustc.edu.cn

Research Interests:

Strongly correlated electronic system; Organic spintronics via DFT calculation; Nanoscale conductance in molecular transistors

Lu Han

Position: Postdoctoral fellow, Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China

Email: hanlu84@ustc.edu.cn

Research Interests:

i. Stochastic Quantum Dynamics in Complex Environment; ii. Exciton Dynamics in Organic Semiconductor.

RuLin Wang

Position: Ph.D. student

Email: rulin11@mail.ustc.edu.cn

Research Interests:

Develop numerical approach and computer code for realization of hierarchical equations of motion formalism for time-dependent quantum transport and surface electron dynamics

Ting Zhou

Position: Ph.D. student

Email: zhout934@mail.ustc.edu.cn

Research Interests:

Theoretical studies on biomimetic water-splitting dimanganese complexs for applications in dye sensitized solar cells

ZhiJun Pan

Position: Ph.D. student

Email: zhjpan@mail.ustc.edu.cn

Research Interests:

Ionic solution collective dynamic,2D Ramn-THz spectrum, molecular dynamic simulation using stability matrix method

Qin Liu

Position: M.Sc. student

Email: liuqin6@mail.ustc.edu.cn

Research Interests:

Density functional theory combine with machine learning

TianMin Wu

Position: Ph.D. student

Email: wtm@mail.ustc.edu.cn

Research Interests:

Thermoelectric properties of semiconductor materials; Exciton dynamics in two-dimensions (2D) materials; Molecular dynamics in aqueous solution

DaDi Zhang

Position: Ph.D. student

Email: dadi@mail.ustc.edu.cn

Research Interests:

DFT; Wannier function

XiaoLi Wang

Position: Ph.D. student

Email: wang52@mail.ustc.edu.cn

Research Interests:

The theoretical investigation of magnetic single-molecule devices

Arif Ullah

Position: Ph.D. student

Email: arif@mail.ustc.edu.cn

Research Interests:

Stochastic description of quantum Brownian dynamics( Open Quantum Systems), Monte Carlo approach to solve Stocahstic Equations

PengLin Xu

Position: Ph.D. student

Email: plxu1990@mail.ustc.edu.cn

Research Interests:

Understanding the mechanism of Fe-catalyst based water oxidation using the Density Functional Theory(DFT)

Yang Liu

Position: Ph.D. student

Email: liuyustc@mail.ustc.edu.cn

Research Interests:

Open quantum system with non-Gaussian bath couplings using DEOM approach

Lei Cui

Position: Ph.D. student

Email: cl47cl@mail.ustc.edu.cn

Research Interests:

Theoretical Simulation of Real-time Electronic Dynamics, TDDFT-HEOM

PengLi Du

Position: Ph.D. student

Email: dupl@mail.ustc.edu.cn

Research Interests:

Entangled System–Bath Dynamics: Optical Response and Heat Transport

Faiza Uzma

Position: Ph.D. student

Email: 

Research Interests:


Shaojin Hu


Position: Ph.D. student

Email: sjhu0@mail.ustc.edu.cn

Research Interests:

Water oxidation mechanism in the oxygen evolving complex of photosystem II

LongQing Yang

Position: Ph.D. student

Email: yangloq@mail.ustc.edu.cn

Research Interests:

The first principle study of the magnetic anisotropy of the Single Molecular Magnets

XiaoLong Yang

Position: Ph.D. student

Email: longxing@mail.ustc.edu.cn

Research Interests:

Using the modified DFT, that is QM4D, to calculate some molecules or atoms and Wannier function to calculate performance of solid materials

XiangZhong Zeng


Position: Ph.D. student

Email: xzhzeng@mail.ustc.edu.cn

Research Interests:

The local temperatures of double-dot quantum systems far from equilibrium

DeWen Cao

Position: M.Sc. student

Email: dwcao89@mail.ustc.edu.cn

Research Interests:

Theoretical and computational chemistry

Min Liu

Position: M.Sc. student

Email: minl@mail.ustc.edu.cn

Research Interests:

Theoretical and computational chemistry

Jie Fang

Position: M.Sc. student

Email: FangjieY@mail.ustc.edu.cn

Research Interests:


Wenxiang Ying

Position: M.Sc. student