GuanHua Chen Group
Theoretical and Computational Chemistry
Welcome to the homepage of G.H. Chen Group
Prof. GuanHua Chen
B.Sc. (Fudan, 86), Ph.D. (Caltech, 92)
- • Chair Professor, Department of Chemistry
The University of Hong Kong - • Managinng Director, Hong Kong Quantum AI Lab
(AIR@InnoHK, Program of ITC) - • 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 or ghc.hku@gmail.com
Academic Positions
- • Lead PI, AIR@InnoHK, Centre of Machine Learning on Energy Materials and Devices, 05/2020-Present
- • Head, Department of Chemistry, HKU, 05/2010-05/2016
- • Professor, Department of Chemistry, HKU, 09/2006-Present
- • Honorary Professor, Department of Physics, HKU, 09/2014-2022
- • 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
My group focuses on developing first-principles quantum mechanical methods to model the real materials and devices. For this, we develop first-principles methods for open quantum system (OQS), and employ machine learning to improve the accuracy of first-principles quantum mechanical methods so that quantitatively precise prediction of material properties is possible.
Awards
- • 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 (2001-2002)
- • Co-1st place in China-US Physics Examination and Application (CUSPEA) program (1985)
Professional Services
- • Vice-President, Hong Kong Institution of Science (2013-2015)
- • Board member for Journal of Physical Chemistry and Journal of Physical Chemistry Letters (06/2017-02/2021)
Postgraduate Supervision
| • | Ph.D./M.Phil. candidates under supervision: | 13 |
| • | Ph.D. awarded under my supervision: | 34 |
| • | M.Phil. awarded under my supervision: | 3 |
Representative Publication
- 1."Toward the exact exchange-correlation potential: a three-dimensional convolutional neural network construct", Y. Zhou, J. Wu, S.G. Chen, and G.H. Chen, J. Phys. Chem. Lett. 10, 7264-7269 (2019)
- 2."Coherent Real-Space Charge Transport Across a Donor–Acceptor Interface Mediated by Vibronic Couplings", Z. Xu, Y. Zhou, L. Groß, A. De Sio, C.Y. Yam, C. Lienau, T. Frauenheim and G.H. Chen, Nano Lett. 19, 8630-8637 (2019)
- 3."STM Imaging of Electron Migration in Real Space and Time: A Simulation Study", Y.H. Kwok, G.H. Chen, and S. Mukamel, Nano Lett. 19, 7006-7012 (2019)
- 4."Stark control of electrons along nanojunctions", L. Chen, Y. Zhang, G.H. Chen and I. Franco, Nat. Comm. 9, 2070 (2018)
- 5."Time-Dependent Density Functional Theory for Open Systems and Its Applications", S.G. Chen, Y.H. Kwok, and G.H. Chen, Acc. Chem. Res. 51, 385-393 (2018)
- 6."Can Molecular Quantum Interference Effect Transistors Survive Vibration?", S.G. Chen, W.J. Zhou, Q. Zhang, Y.H. Kwok, G.H. Chen, and M.A. Ratner, J. Phys. Chem. Lett. 8, 5166–5170 (2017)
- 7."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)
- 8."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, and M.A. Ratner, J. Phys. Chem. Lett. 5, 2748–2752 (2014)
- 9."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)
- 10."Linear-Scaling Quantum Mechanical Methods for Excited States", C.Y. Yam, Q. Zhang, F. Wang and G.H. Chen, Chem. Soc. Rev. 41, 3821 (2012)
- 11."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)
- 12."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)
- 13."Energy dissipation mechanisms in carbon nanotube oscillators", Y. Zhao, C.C. Ma, G.H. Chen and Q. Jiang, Phys. Rev. Lett. 91, 175504 (2003)
- 14."Electronic Structures and Optical Properties of Open and Capped Carbon Nanotubes", W.Z. Liang, X.J. Wang, S. Yokojima and G.H. Chen, J. Am. Chem. Soc. 122, 11129 (2000)
- 15."The magnon pairing mechanism of Superconductivity in Cuprate Ceramics", G.H. Chen and William A. Goddard III, Science 239, 899 (1988)
News
Past events
• Continuous seminar series on the theme of Computational Physics and Numerical Methods.learn more »
• Jan 2005 International Workshop on Theoretical and Computational Chemistry of Complex Systems (IWTCCCS) in conjunction with the 3rd Chinese Theoretical and Computational Chemistry Conference (CTCCC-3).