DongHui Zhang


       Prof. Dong Hui Zhang graduated from Fudan University of China in 1985, and received his Ph. D. from New York University, USA in 1994. He had worked as a postdoctoral research associate in New York University and The University of Chicago. He started his professional career at Department of Computational Science, National University of Singapore in 1997, first as an Assistant Professor, and was prompted to Associate Professor with tenure in 2000. Since 2004 he has been a Professor in Dalian Institute of Chemical Physics.


Research Interests

      Prof. Zhang’s research is aimed to develop efficient theoretical and computational methodologies to study quantum molecular dynamics in various systems. For small (3 or 4 atom) molecular systems, we pursue exact quantum mechanical scattering calculations to obtain all interesting information for chemical reactions, from the most detailed state-to-state reactive scattering cross sections to thermal rate constants. For chemical reactions involving more than four atoms, we are interested in developing reduced dimensionality models to achieve the most accurate dynamical results under current computer technology. To treat more complex molecular ystems, Prof. Zhang’s group is pursuing use of the continuous-configuration time dependent self-consistent field (CC-TDSCF) method in combination with the transition state wave packet method. We are also interested in constructing highly accurate potential energy surfaces in order to apply the accurate dynamics method we developed to some specific systems of chemical interesting.  







张东辉, Michael A. Collins, and S.-Y. Lee, First-Principles Theory for the H+H2O, D2O Reactions, Science, 290, 961 (2000)


M. Qiu, Z. Ren, L. Che, D. Dai, S. A. Harich, X. Wang, X. Yang, C. Xu, D. Xie, M. Gustafsson, R. T. Skodje, Z. Sun, and 张东辉, Observation of Feshbach resonance in the F + H2 → HF + H reaction, Science, 311, 1140-1143 (2006)


张东辉, Minghui Yang, Michael A. Collins, and Soo-Y. Lee, Probing the transition state via photoelectron and photodetachment spectroscopy of H3O-, Proc. Nat. Acad. Sci. USA 99, 11579-11582 (2002).


K. Yun, Y. Chen, X. Liu, S. Harich, X. Wang, X. Yang, and 张东辉, Experimental and Quantum Dynamics Study on an Asymmetric Insertion Reaction: State-to-State Dynamics of O(1D)+HD → OH + H, Phys. Rev. Lett., 96, 103202 (2006)


张东辉, D. Xie, M. Yang, S.-Y. Lee, State-to-State Integral Cross Sections for the H+H2O→ H2+OH Abstraction Reaction, Phys. Rev. Lett., 89, 283203 (2002)



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