Current Members

Prof. YiJing Yan

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

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

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

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

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

Postdoctoral fellow, University of Science and Technology of China

Research Interests: Theoretical and computational chemistry

Email: kongyuan@mail.ustc.edu.cn

Yao Wang

Postdoctoral fellow, University of Science and Technology of China

Research Interests: Topics related to quantum dissipative process

Email: wy2010@mail.ustc.edu.cn

Shaojin Hu


Position: Ph.D. student

Research Interests:Water oxidation mechanism in the oxygen evolving complex of photosystem II

Email: sjhu0@mail.ustc.edu.cn

LongQing Yang

Position: Ph.D. student

Research Interests:The first principle study of the magnetic anisotropy of the Single Molecular Magnets

Email: yangloq@mail.ustc.edu.cn

XiangZhong Zeng


Position: Ph.D. student

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

Email: xzhzeng@mail.ustc.edu.cn

XiaoLong Yang

Position: Ph.D. student

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

Email: longxing@mail.ustc.edu.cn

QingFeng Zhuang

Position: Ph.D. student

Research Interests:

Email: qfzhuang@mail.ustc.edu.cn


JingChun Wang


Position: Ph.D. student

Research Interests: Quantum Chemistry with machine learning

Email: wjchun@mail.ustc.edu.cn

Hong Gong

Position: Ph.D. student

Research Interests: Theoretical and computational physics

Email: gongh@mail.ustc.edu.cn

DaoChi Zhang


Position: Ph.D. student

Research Interests:

Email: zdc95@mail.ustc.edu.cn

DaWei He

Position: Ph.D. student

Research Interests:

Email: dada747@mail.ustc.edu.cn

Xu Ding


Position: Ph.D. student

Research Interests:

Email: dingxu7@mail.ustc.edu.cn

Lijun Zuo


Position: M.Sc. student

Research Interests: The first principle study of the magnetic single-molecule devices

Email: ljzuo@mail.ustc.edu.cn

Zihao Chen

Position: Ph.D. student

Research Interests:

Email: pb142060@mail.ustc.edu.cn

Zipeng An


Position: M.Sc. student

Research Interests: 

Email: azpmlzy@mail.ustc.edu.cn

Jiaan Cao

Position: M.Sc. student

Research Interests: 

Email: jacao047@mail.ustc.edu.cn

Jie Fang

Position: M.Sc. student

Research Interests: 

Email: FangjieY@mail.ustc.edu.cn

Jialin Pan

Position: M.Sc. student

Research Interests:

Email: panjl@mail.ustc.edu.cn

Xiang Li

Position: M.Sc. student

Research Interests:

Email:

Long Cao

Position: M.Sc. student

Research Interests:

Email: caolong@mail.ustc.edu.cn

Liwei Ge

Position: M.Sc. student

Research Interests:

Email:

Former Members

PengLi Du

Position: Ph.D. student

Research Interests: Entangled System–Bath Dynamics: Optical Response and Heat Transport

Email: dupl@mail.ustc.edu.cn

Lei Cui

Position: Ph.D. student

Research Interests: Theoretical Simulation of Real-time Electronic Dynamics, TDDFT-HEOM

Email: cl47cl@mail.ustc.edu.cn

HouDao Zhang

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

Lu Han

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.

ZhiJun Pan

Position: Ph.D. student

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

Email: zhjpan@mail.ustc.edu.cn

Qin Liu

Position: M.Sc. student

Research Interests: Density functional theory combine with machine learning

Email: liuqin6@mail.ustc.edu.cn

TianMin Wu

Position: Ph.D. student

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

Email: wtm@mail.ustc.edu.cn

DaDi Zhang

Position: Ph.D. student

Research Interests: DFT; Wannier function

Email: dadi@mail.ustc.edu.cn

Yang Liu

Position: Ph.D. student

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

Email: liuyustc@mail.ustc.edu.cn

XiaoLi Wang

Position: Ph.D. student

Research Interests: The theoretical investigation of magnetic single-molecule devices

Email: wang52@mail.ustc.edu.cn

PengLin Xu

Position: Ph.D. student

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

Email: plxu1990@mail.ustc.edu.cn

Arif Ullah

Position: Ph.D. student

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

Email: arif@mail.ustc.edu.cn

Dong Hou

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

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

Email: houdong@ustc.edu.cn

RuLin Wang

Position: Ph.D. student

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

Email: rulin11@mail.ustc.edu.cn

Ting Zhou

Position: Ph.D. student

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

Email: zhout934@mail.ustc.edu.cn

DeWen Cao

Position: M.Sc. student

Research Interests: Theoretical and computational chemistry

Email: dwcao89@mail.ustc.edu.cn

Min Liu

Position: M.Sc. student

Research Interests: Theoretical and computational chemistry

Email: minl@mail.ustc.edu.cn