Principal Investigator

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Qiang Shi(史强) Principal Investigator Professor  Open quantum system dynamics / Charge and energy transfer in complex system / Theoretical multidimensional spectroscopy Beijing National Laboratory for Molecular Sciences State Key Laboratory for Structural Chemistry of Unstable and Stable Species, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China          Room: 2-220 Tel： +86 010-82616163 E-mail : qshi@iccas.ac.cn Orcid ID: http://orcid.org/0000-0002-9046-2924 Google Scholar

Education/Work Experience

• Professor of Chemistry at Institute of Chemistry, Chinese Academy of Sciences, 2007 -present
• Postdoctoral fellow, Department of Chemistry, University of Utah, with Prof. Gregory A. Voth, 2004-2007
• Postdoctoral research fellow, Department of Chemistry, University of Michigan, with Prof. Eitan Geva, 2001 - 2004
• PhD, University of Science and Technology of China, Supervisor: Prof. Qingshi Zhu(朱清时), 2000
• BA, Physics&Mathematics, University of Science and Technology of China,1995

Services

• Associate Editor, Journal of Chemical Physics, 2017-present

Selected Recent Publications

 

7. Liu Y, Yan Y, Xing T, Shi Q. Understanding the Large Kinetic Isotope Effect of Hydrogen Tunneling in Condensed Phases by Using Double-Well Model Systems[J]. The Journal of Physical Chemistry B, 2021.

 

6. Yan Y, Xu M, Li T, Shi Q. Efficient propagation of the hierarchical equations of motion using the Tucker and hierarchical Tucker tensors. Journal of Chemical Physics 2021,154(19):194104.[Editors' Pick]

 

5. Yan Y, Liu Y, Xing T, Shi Q. Theoretical study of excitation energy transfer and nonlinear spectroscopy of photosynthetic light‐harvesting complexes using the nonperturbative reduced dynamics method[J]. Wiley Interdisciplinary Reviews: Computational Molecular Science, 2021, 11(3): e1498.

 

4.Xu M, Liu Y, Song K, Shi Q. A non-perturbative approach to simulate heterogeneous electron transfer dynamics: Effective mode treatment of the continuum electronic states[J]. The Journal of chemical physics, 2019, 150(4): 044109.

 

3. Yan Y, Xu M, Liu Y, Shi Q. Theoretical study of charge carrier transport in organic molecular crystals using the Nakajima-Zwanzig-Mori generalized master equation[J]. The Journal of chemical physics, 2019, 150(23): 234101.[Editors' Pick]

 

2. Shi Q, Xu Y, Yan Y, Xu M . Efficient propagation of the hierarchical equations of motion using the matrix product state method[J]. Journal of Chemical Physics 2018,148(17):174102.

 

1. Song K, Shi Q. Theoretical study of photoinduced proton coupled electron transfer reaction using the non-perturbative hierarchical equations of motion method[J]. The Journal of Chemical Physics, 2017, 146(18): 184108.