Welcome to the homepage of G.H. Chen Group

Prof. GuanHua Chen
B.Sc. (Fudan, 86), Ph.D. (Caltech, 92)

Professor, Department of Chemistry
Honorary Professor, Department of Physics
The University of Hong Kong

Co-Convenor, Strategic Research Theme on Computation and Information, The University of Hong Kong
Principal Coordinator, Area of Excellence on Theory, Simulation and Modelling of Emerging Electronics

Email: ghc@everest.hku.hk

Academic Positions

  • Head, Department of Chemistry, HKU, 05/2010-Present
  • Honorary Professor, Department of Physics, HKU, 09/2014-Present
  • Professor, Department of Chemistry, HKU, 09/2006-Present
  • Associate Professor, Dept. of Chemistry, HKU, 12/1999-08/2006
  • Assistant Professor, Dept. of Chemistry, HKU, 07/1996-11/1999
  • Postdoctoral Fellow, Dept. of Chemistry, Univ. of Rochester, 07/1993-02/1996
  • Postdoctoral Fellow, Caltech, 06/1992-06/1993

Research synopsis

Our group is interested in developing the state-of-the-art linear-scaling quantum mechanical methods for very large molecular systems and investigating dynamics of complex systems including nanomaterials, nano- devices, polymer aggregates and biological macromolecules.


  • Fellow of American Physical Society (2014-)
  • Fellow of Royal Society of Chemistry (2011-)
  • Outstanding Young Scholar Award, NSFC (2009-2010)
  • National Natural Science Award (First Class), Education Ministry of China (2008)
  • Outstanding Young Researcher Award 2001-2002, The University of Hong Kong
  • Co-1st place in China-US Physics Examination and Application (CUSPEA) program (1985)

Professional Services

  • Vice-President, Hong Kong Institution of Science (2013-2015)
  • Associate Editor, European Physics Journal B
  • Board member for Journal of Physical Chemistry and Journal of Physical Chemistry Letters

Postgraduate Supervision

    • Ph.D. candidates under supervision: 9
    • M.Phil. candidates under supervision: 1
    • Ph.D. awarded under my supervision: 16
    • M.Phil. awarded under my supervision:   2

Representative Publication

  1. "A multiscale quantum mechanics/electromagnetics method for device simulations", C.Y. Yam, L.Y. Meng, Y. Zhang and G.H. Chen, Chem. Soc. Rev. 44, 1763 (2015).
  2. "Interference and Molecular Transport?A Dynamical View: Time-Dependent Analysis of Disubstituted Benzenes", S.G. Chen, Y. Zhang, S. K. Koo, H. Tian, C. Y. Yam, G.H. Chen, M. A. Ratner, J. Phys. Chem. Lett., 5 (15), 2748?2752 (2014).
  3. "Quantum-Mechanical Prediction of Nanoscale Photovoltaics", Y. Zhang, L.Y. Meng, C.Y. Yam and G.H. Chen, J. Phys. Chem. Lett. 5, 272 (2014).
  4. "A multi-scale modeling of junctionless field-effect transistors", C.Y. Yam, J. Peng, Q. Chen, S. Markov, J.Z. Huang, N. Wong, W.C. Chew, and G.H. Chen, Appl. Phys. Lett. 103, 062109 (2013).
  5. "Linear-Scaling Quantum Mechanical Methods for Excited States", ChiYung Yam, Qing Zhang, Fan Wang and G.H. Chen, Chem. Soc. Rev. 41, 3821 (2012).
  6. "Time-dependent density functional theory for quantum transport", X. Zheng, G.H. Chen, Y. Mo, S.K. Koo. H. Tian, C.Y. Yam and Y.J. Yan, J. Chem. Phys. 133, 114101 (2010).
  7. "Time-dependent density-functional theory for open systems", X. Zheng, F. Wang, C.Y. Yam, M. Yan and G.H. Chen, Phys. Rev. B 75, 195122 (2007).
  8. "Quantum mechanical investigation of field emission mechanism of a micrometer-long single-walled carbon nanotube", X. Zheng, G.H. Chen, Z.B. Li, S.Z. Deng and N.S. Xu, Phys. Rev. Lett. 92, 106803 (2004).
  9. "Energy dissipation mechanisms in carbon nanotube oscillators", Y. Zhao, C.C. Ma, G.H. Chen, and Q. Jiang, Phys. Rev. Lett. 91, 175504 (2003).
  10. "Linear-scaling time-dependent density functional theory", ChiYung Yam, Satoshi Yokojima and G.H. Chen, Phys. Rev. B 68, 153105 (2003).
  11. "Optical Properties of Single-Walled 4 A Carbon Nanotubes", W.Z. Liang, S. Yokojima, M.F. Ng, G.H. Chen and G. He, J. Am. Chem. Soc. 123, 9830 (2001).
  12. "Electronic Structures and Optical Properties of Open and Capped Carbon Nanotubes", WanZhen Liang, XiuJun Wang, Satoshi Yokojima and GuanHua Chen, J. Am. Chem. Soc. 122, 11129 (2000).
  13. "Nonlinear Susceptibilities of Donor-Acceptor Conjugated Systems: Coupled-Oscillator Representation", Guanhua Chen and Shaul Mukamel, J. Am. Chem. Soc. 117, 4945 (1995).
  14. "Resonant Tunneling through Quantum-Dot Arrays", Guanlong Chen, Gerhard Klimeck, Supriyo Datta, Guanhua Chen and William A. Goddard III, Phys. Rev. B 50, 8035 (1994).
  15. "The magnon pairing mechanism of Superconductivity in Cuprate Ceramics", Guanhua Chen and William A. Goddard III, Science 239, 899 (1988).