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ZHENG Xiao, Professor Theoretical and Computational Sciences

Name:  ZHENG Xiao (郑晓)
Born:   March 10, 1980, Fujian, China
Address: Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei, 230026, China
E-mail: xz58@ustc.edu.cn
 
 
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
 2008-2010 Visiting Research Scientist, Department of Chemistry, Duke University
 2011-present Professor, Hefei National Laboratory for Physical Sciences at the Microscale, USTC
 
RESEARCH INTERESTS
1) Density functional theory for nanoscopic systems
2) Theory of quantum dissipative systems, and its numerical methods with various applications
3) Large-scale quantum simulation of complex molecular systems
4) First-principles method for open systems, and applications to nanoelectronics, photovoltaics, field-emission, and optical responses
 
CURRENT RESEARCH PROJECTS
1) Development of exchange-correlation functional in density functional theory
2) Development and application of time-dependent density functional theory
3) Development and application of quantum dissipation theory
 
REPRESENTATIVE PUBLICATIONS
1) 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).
2) Xiao Zheng, San-Huang Ke*, and Weitao Yang*, “Conductive junctions with parallel grapheme sheets”, J. Chem. Phys.132, 114703 (2010).
3) 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).
4) Xiao Zheng, Jinshuang Jin, and YiJing Yan*, “Dynamic Coulomb blockade in single-lead quantum dots”, New J. Phys. 10, 093016 (2008).
5) 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).
6) 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).
7) Xiao Zheng, LiHong Hu, XiuJun Wang, and GuanHua Chen*, “A generalized exchange-correlation functional: the Neural Networks approach”, Chem. Phys. Lett. 390, 186 (2004).
8) 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).

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