Prof. Zhang’s primary research focuses on developing theoretical dynamics methods to study chemical reactions and related dynamics processes, in close interaction with experiment. The aims of our studies are to unveil the fundamental mechanisms of chemical reactions and to investigate chemical reactions of importance in combustion, atmospheric, and heterogeneous processes. We have played a pivotal role in developing quantum reactive scattering into its current stage where all dynamical information for most triatomic reactions and some simple tetraatomic reactions can be affordably calculated. For systems involving more than four atoms, we pursue dynamical results as accurate as possible by using reduced dimensionality approaches with the limit to the current computer power. We are also interested in constructing highly accurate potential energy surfaces for systems of chemical interesting on which accurate dynamics calculations can be carried out.
Outstanding Young Scholar Award, NSFC, China 2006
Collaboration Fund Award for Young Oversea Chinese Scholar, NSFC, China, 2003
National Science Award, AStar, Singapore, 2003
Young Scientist Award, Singapore National Academy of Science, 2000
Margaret and Herman Sokol Postdoctoral Fellowship Award, New York University, 1994
Dean’s Dissertation Fellowship, New York University, 09/93 – 06/94
Developmental Fellowship, New York University, 09/89 – 06/90
1. Tiangang Yang, Jun Chen, Long Huang, TaoWang, Chunlei Xiao,*Zhigang Sun,* Dongxu Dai, Xueming Yang,*Dong H. Zhang*,Extremely short-lived reaction resonances in Cl+HD(v=1)→DCl+Hdue to chemical bond softening, Science, 347, 60 (2015).
2. Tao Wang, Jun Chen, Tiangang Yang, ChunleiXiao, ZhigangSun, Long Huang, DongxuDai, XuemingYang, D. H. Zhang, Dynamical Resonances Accessible Only by Reagent Vibrational Excitation in the F+HD→HF+D Reaction, Science, 2013,342,1499-1452.
3. C. Xiao, X. Xu, S. Liu, T. Wang, W. Dong, T. Yang, Z. Sun, D. Dai, X. Xu, D. H. Zhang, X. Yang, Experimental and Theoretical Differential Cross Sections for a Four-Atom Reaction: HD+OH→H2O+D, Science,333(2011)440-442.
4. W. Dong, C. Xiao, T. Wang, D. Dai, X. Yang, D. H. Zhang, Transition-state spectroscopy of partial wave resonances in the F+HD reaction, Science, 327(2010)1501-1502.
5. X. Wang, W. Dong, C. Xiao, L. Che, Z. Ren, D. Dai, X. Wang, P. Casavecchia, X. Yang, B. Jiang, D. Xie, Z. Sun, S.-Y. Lee, D. H. Zhang, H.-J. Werner, M. H. Alexander, The Extent of Non-Born-Oppenheimer Coupling in the Reaction of Cl(2P ) with para-H2, Science, 322(2008)573-576.
6. L.Che, Z. Ren, X. Wang, W. Dong, D. Dai, X. Wang, D. H. Zhang, X. Yang, L. Sheng, G. Li, H.-J. Werner, F. Lique, M. H. Alexander, Breakdown of the Born-Oppenheimer Approximation in the F+o-D2→DF+D reaction, Science,317 (2007)1061-1064.
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,D. H. Zhang, Observation of Feshbach resonance in the F+H2→HF+H reaction, Science,311 (2006)1440-1443.
7. D. H. Zhang, M. A. Collins, S.-Y. Lee, First-Principles Theory for the H+H2O, D2O Reactions, Science, 290(2000)961-963.