Name

Xiao   Zheng (郑晓)

Born

Mar.   1980, Fujian

Address

Hefei   National Laboratory for Physical Sciences at the Microscale,  University   of Science and Technology of China (USTC)Anhui, Hefei 230026, P. R. China

Tel

86-551-63600310(O)

E-mail

xz58@ustc.edu.cn

EDUCATION AND RESEARCH EXPERIENCE

2010-now

Professor,   Hefei National Laboratory for Physical Sciences at the Microscale, USTC

2008-2010

Research   Scientist, Department of Chemistry, Duke University

2008-2009

Visiting Scholar, Department of Chemistry, Duke   University

2007-2009

Postdoctoral   Research Associate, Department of Chemistry, Hong Kong University of Science   and Technology

2002-2006

Ph.D. in Chemistry, Department of Chemistry,   The University of Hong Kong

1998-2002

B.Sc. in Chemistry, Department of Chemical   Physics, USTC

RESEARCH INTERESTS

Theoretical   chemical physics, including :

1. Development of   density functional theory for nanoscopic systems

2. Development of   fundamental theory of quantum dissipative dynamic systems, and its numerical   methods with various applications

3. Large-scale quantum   mechanical simulation of complex molecular systems

4. First-principles   method for open systems, and its application to nanoelectronics,   photovoltaics, field-emission, and optical responses

REPRESENTATIVE PUBLICATIONS

1. Xiao   Zheng, Aron J. Cohen, Paula Mori-Sánchez, Xiangqian Hu, and Weitao Yang,   “Improving band gap prediction in density functional theory from molecules to   solids”,Phys. Rev.   Lett.in press (2011).

2. Xiao   Zheng, ChiYung Yam, Fan Wang, and GuanHua Chen, “Existence of time-dependent   density-functional theory for open electronic systems: Time-dependent   holographic electron density theorem”,Phys.   Chem. Chem. Phys.in   press (2011).

3.Xiao Zheng,   GuanHua Chen, Yan Mo, SiuKong Koo, Heng Tian, ChiYung Yam, and YiJing Yan,   “Time-dependent density functional theory for quantum transport”,J. Chem. Phys.133, 114101 (2010).

4. Xiao Zheng, San-Huang Ke, and Weitao Yang, “Conductive junctions with parallel   grapheme sheets”,J.   Chem. Phys.132,   114703 (2010).

5.Xiao Zheng, Jinshuang Jin, Sven   Welack, Meng Luo, and YiJing Yan, “Numerical approach to time-dependent   quantum transport and dynamical Kondo transition”,J. Chem. Phys.130, 164708 (2009).

6.Yan   Mo, Xiao Zheng, GuanHua Chen, and YiJing Yan,   “Transient electronic dynamics of noninteracting open systems beyond linear   response”,J. Phys.:   Condens. Matter 21, 355301 (2009).

7. Xiao Zheng, Jinshuang Jin, and YiJing Yan, “Dynamic Coulomb blockade in   single-lead quantum dots”,New   J. Phys.10, 093016   (2008).

8. Xiao Zheng, Jinshuang Jin, and YiJing Yan, “Dynamic electronic response of a   quantum dot driven by time-dependent voltage”,J. Chem. Phys.129, 184112 (2008).

9. Xiao Zheng, Fan Wang, ChiYung Yam, Yan Mo, and GuanHua Chen, “Time-dependent   density-functional theory for open systems”,Phys. Rev.B 75, 195127 (2007).

10.Xiao Zheng, GuanHua Chen,   Zhibing Li, Shaozhi Deng, and Ningsheng Xu, “Quantum mechanical investigation   of field emission mechanism of a micrometer-long single-walled carbon   nanotube”,Phys. Rev.   Lett.92, 106803   (2004).