Name:
Xiao Zheng (郑晓)
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-(O)
E-mail:
xz58@ustc.edu.cn
Office:
Science (LiHua) Building, 14-013 Room

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