个人简介

Honorary positions: Guest Professor, University of Science and Technology of China (2005-) Adjunct Professor, Zhongshan University (2002-2005) Guest Professor, Dalian Institute of Chemical Physics (2002-2006) Guest Professor, Northeast Normal University (1999-) Senior Visiting Scholar, Fudan University (2003-2005) Senior Visiting Scholar, Tsinghua University (2005-2011) Prizes and awards: 1st place in China-US Physics Examination and Application (CUSPEA) program (1985) HKU Outstanding Young Researcher Award (2001-2002) National Natural Science Award (First Class), Education Ministry of China (2008) Outstanding Young Scholar of China, NSFC (2009-2010) Fellow of American Physical Society (2014)

研究领域

Physical Chemistry

1. O(N) First-Principles Methods for Complex Systems Localized-density-matrix (LDM) method is developed to calculated electronic dynamics of very large molecular systems containing up to tens of thousand atoms. It has been implemented at semiempirical and first-principle levels. Electronic structures of namostructures and proteins are under investigation. Inclusion of nuclei is expected to yield important information of these systems. 2. First Principles Methods for Open Systems and Application to Emerging Nanoelectronics Traditionally Quantum Chemistry deals the closed systems where energy and number of particles are fixed. With the development of materials science, nanotechnology and quantum computing, the needs for the accurate calculations of open systems are increasingly acute. A first-principle method has been developed to simulate the electronic dynamics of open systems. It follows the time evolution of reduced single electron density matrix, and has been employed to simulate the transient currents through molecular and nano-devices. 3. Computational Chemistry Approach to System biology We are developing multi-scale methods to simulate the transcription, translation, protein-protein interaction and cell motility, currently we focus on E. Coli Bacteria, and are developing a set of simulating and modeling techniques (ranging from atomistic simulation to statistical modeling) to understand and predict the spatial and temporal patterns of programmed E. Coli bacteria

近期论文

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""""Alternative Approach to Chemical Accuracy: A Neural Networks-Based First-Principles Method for Heat of Formation of Molecules Made of H, C, N, O, F, S, and Cl"""", J. Sun, J. Wu, T. Song, L.H. Hu, K.L. Shan, G.H. Chen, J. Phys. Chem. A (2014). DOI:10.1021/jp502096y """"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). DOI:10.1021/jz5007143 """"Quantum-Mechanical Prediction of Nanoscale Photovoltaics"""", Y. Zhang, L.Y. Meng, C. Y. Yam, G.H. Chen, J. Phys. Chem. Lett., 5, 1272−1277 (2014). DOI:10.1021/jz5003154 """"Frequency-domain multiscale quantum mechanics/electromagnetics simulation method"""", L.Y. Meng, Z.Y. Yin, C. Y. Yam, S. K. Koo, Q. Chen, N. Wong, G.H. Chen, J. Chem. Phys. 139, 244111 (2013). DOI:10.1063/1.4853635 """"Time-dependent density functional theory quantum transport simulation in non-orthogonal basis"""", Y. H. Kwok, H. Xie, C. Y. Yam, X. Zheng, G.H. Chen, J. Chem. Phys. 139, 224111 (2013). DOI:10.1063/1.4840655 """"Time-dependent quantum transport theory and its applications to graphene nanoribbons"""", H. Xie, Y. H. Kwok, Y. Zhang, F. Jiang, X. Zheng, Y.J. Yan, G.H. Chen, Phys. Status Solidi B, 250: 2481–2494, (2013). DOI:10.1002/pssb.201349247 """"Gauge-invariant and current-continuous microscopic ac quantum transport theory"""", J.Q. Zhang, Z.Y. Yin, X. Zheng, C. Y. Yam, G.H. Chen, Eur. Phys. J. B, 86: 423, (2013). DOI:10.1140/epjb/e2013-40325-7 """"Application of hierarchical equations of motion (HEOM) to time dependent quantum transport at zero and finite temperatures"""", H. Tian, G.H. Chen, Eur. Phys. J. B, 86: 411, (2013). DOI:10.1140/epjb/e2013-40333-7 """"Synthesis of Constrained Head-to-Tail Cyclic Tetrapeptides by an Imine-Induced Ring-Closing / Contraction Strategy"""", C. T. T. Wong, H. Y. Lam, T. Song, G.H. Chen, X.C. Li, Angew. Chem. Int. Ed., 52: 10212–10215, (2013). DOI:10.1002/anie.201304773 """"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, G.H. Chen, Appl. Phys. Lett. 103, 062109 (2013). DOI:10.1063/1.4817911 """"Time-dependent density functional theory for quantum transport"""", Y. H. Kwok, Y. Zhang, G.H. Chen, Front. Phys. (2013). DOI:10.1007/s11467-013-0361-5 """"Model Order Reduction for Multiband Quantum Transport Simulations and its Application to p-Type Junctionless Transistors"""", J. Z. Huang, W. C. Chew, J. Peng, C. Y. Yam, L. J. Jiang, G.H. Chen, IEEE Trans. on Elec. Dev. Vol. 60, No. 7, 2111-2119 (2013). DOI:10.1109/TED.2013.2260546 """"A Numerically Efficient Formulation for Time-Domain Electromagnetic-Semiconductor Cosimulation for Fast-Transient Systems"""", Q. Chen, W. Schoenmaker, G.H. Chen, L.J. Jiang, N. Wong, IEEE Trans. on CAD of IC and Sys. Vol. 32, No. 5, 802-806 (2013). DOI:10.1109/TCAD.2012.2232709 """"Dissipative time-dependent quantum transport theory"""", Y. Zhang, C. Y. Yam, G.H. Chen, J. Chem. Phys. 138, 164121 (2013). DOI:10.1063/1.4802592 """"Theoretical insights into [PMo12O40](3-) grafted on single-walled carbon nanotubes"""", S.Z. Wen, W. Guan, Y.H. Kan, G.C. Yang, N.N. Ma, L.K. Yan, Z.M. Su, G.H. Chen, Phys. Chem. Chem. Phys., 15, 9177 (2013). DOI:10.1039/c3cp51380g """"First-principles time-dependent quantum transport theory"""", Y. Zhang, S.G. Chen, G.H. Chen, Phys. Rev. B 87, 085110 (2013). DOI:10.1103/PhysRevB.87.085110 """"An efficient solution of Liouville-von Neumann equation that is applicable to zero and finite temperatures"""", H. Tian, and G.H. Chen, J. Chem. Phys. 137, 204114 (2012). DOI:10.1063/1.4767460 """"Quantum transport through an array of quantum dots"""", S.G. Chen, H. Xie, Y. Zhang, X.D. Cui, and G. H. Chen, Nanoscale, 2013, 5, 169. DOI:10.1039/c2nr32343e """"Time-dependent quantum transport: An efficient method based on Liouville-von-Neumann equation for single-electron density matrix"""", H. Xie, F. Jiang, H. Tian, X. Zheng, Y. H. Kwok, S.G. Chen, C. Y. Yam, Y. J. Yan, and G. H. Chen, J. Chem. Phys. 137, 044113 (2012). DOI:10.1063/1.4737864 """"Quantum Transport Simulations Based on Time Dependent Density Functional Theory"""", Thomas Niehaus and Guanhua Chen, Chapter 2 of """"Quantum Simulations of Materials and Biological Systems"""", p.17-32, Ed. Jun Zeng, Rui-Qin Zhang, Herbert R. Treutlein, Springer, 2012