Biography

Wenjie Dou earned a B.S. in physics from University of Science and Technology of China in 2013 and a Ph.D. in theoretical chemistry from the University of Pennsylvania in 2018. His Ph.D. work focused on modeling non-adiabatic dynamics near surfaces. From 2018, he was a postdoc at UC Berkeley working on stochastic implementation of electronic structure theory for excited states. He started his independent career at Westlake in Jan. 2021. 

Research

Wenjie is interested in electron and energy flow through complex molecular systems. At Westlake, his group will develop excited-state (stochastic) electronic structure theory (many-body perturbation theory, e.g. GW, Bethe-Salpeter equation) and nonadiabatic (quantum) dynamics (beyond Born-Oppenheimer approximation, e.g. surface hopping, electronic friction) to describe electron transfer, energy relaxation, exciton recombination, light-matter interaction, and coherence control in complex chemical systems, e.g. inside an optical cavity, within nanomaterials, and at molecule-metal interfaces. 

Representative Publications
1.Z. Jin,W. Dou, J.E. Subotnik. “Configuration interaction approaches for solving quantum impurity models”J. Chem. Phys.152, 064105 (2020)
2.W. Dou, J.E. Subotnik. “Non-Adiabatic Molecular Dynamics at Metal surfaces”J. Phys. Chem. A124, 751(2020)
3.W. Dou, T.Y. Takeshita, M. Chen, R. Baer, D. Neuhauser, E. Rabani. “Stochastic Resolution of Identity for Real-Time Second-Order Green’s Function: Ionization Potential and Quasi-particle Spectrum”J. Chem. Theory Comput.15, 6703 (2019)
4.T.Y. Takeshita,W. Dou, D.G.A. Smith, W.A. de Jong, R. Baer, D. Neuhauser, E. Rabani. “Stochastic resolution of identity second-order Matsubara Green’s function theory” J. Chem. Phys. 151, 044114 (2019)
5.W. Dou, J. E. Subotnik. “Perspective: How to understand electronic friction”J. Chem. Phys.148, 230901 (2018)
6.W. Dou, M.A. Ochoa, A. Nitzan, J. E. Subotnik. “Universal approach to quantum thermodynamics in the strong coupling regime”Phys. Rev. B98, 134306 (2018)
7.W. Dou, C. Schinabeck, M. Thoss, J. E. Subotnik. “A broadened classical master equation approach for treating electron-nuclear coupling in non-equilibrium transport”J. Chem. Phys.148, 102317 (2018)
8.W. Dou, J. E. Subotnik. “Universality of electronic friction: The equivalence of the Head-Gordon--Tully model and von-Oppen's NEGF approach at equilibrium”Phys. Rev. B96, 104305 (2017)
9.W. Dou, G. Miao, J. E. Subotnik. “Born-Oppenheimer Dynamics, Electronic Friction, and the Inclusion of Electron-Electron Interactions”Phys. Rev. Lett.119, 046001 (2017)
10.W. Dou, J. E. Subotnik. “A generalized surface hopping algorithm to model non-adiabatic dynamics near metal surfaces: The case of multiple electronic orbitals”J. Chem. Theory Comput.13, 2430 (2017)
11.W. Dou, J. E. Subotnik. “A many-body states picture of electronic friction: The case of multiple orbitals and multiple electronic states”J. Chem. Phys.145, 054102 (2016)
12.W. Dou, J. E. Subotnik. “A broadened classical master equation approach for nonadiabatic dynamics at metal surfaces: Beyond the weak molecule-metal coupling limit”J. Chem. Phys.144, 024116 (2016)
13.W. Dou, A. Nitzan, J. E. Subotnik. “Frictional effects near a metal surface”J. Chem. Phys.143, 054103 (2015)

14.W. Dou, A. Nitzan, J. E. Subotnik. “Surface hopping with a manifold of electronic states. II. Application to the many-body Anderson-Holstein model”J. Chem. Phys.142, 084110 (2015)

Contact Information

Email：douwenjie@westlake.edu.cn

We are hiring! Motivated Ph.D. students, research assistants and postdocs are welcome to contact me directly. Send me your CV and state your research interests. Postdoc candidates should arrange two recommendation letters to douwenjie@westlake.edu.cn.