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

1. W. Guan, P. Bao, J. Peng, Z. Lan, Q. Shi. mpsqd: A matrix product state based Python package to simulate closed and open system quantum dynamics[J]. J. Chem. Phys.  2024,161(12):122501.

2. X. Dan, Q. Shi. Theoretical study of nonadiabatic hydrogen atom scattering dynamics on metal surfaces using the hierarchical equations of motion method[J]. J. Chem. Phys.   2023,159(4):044101.

3. Y. Yan, M. Xu, T. Li,  Q. Shi. Efficient propagation of the hierarchical equations of motion using the Tucker and hierarchical Tucker tensors[J]. J. Chem. Phys.2021,154(19):194104.

4. Y. Yan, M. Xu, Y. Liu,  Q. Shi.  Theoretical study of charge carrier transport in organic molecular crystals using the Nakajima-Zwanzig-Mori generalized master equation[J]. J. Chem. Phys. 2019,150(23):234101.

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

6. Q. Shi, L. Chen, G. Nan, R. Xu, Y. Yan. Efficient hierarchical Liouville space propagator to quantum dissipative dynamics[J]. J. Chem. Phys. 2009,130(8):084105.