窦文杰 - 西湖大学

个人简介

Wenjie Dou earned a B.S. in physics from the 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 nonadiabatic dynamics near surfaces. From 2018, He is a postdoc at UC Berkeley working on stochastic implementation of electronic structure theory for excited states. He will be starting his independent career as an assistant professor at Westlake in Jan. 2021.

研究领域

Our research of interests lies in theoretical/physical chemistry, with a special focus on nonadiabatic (quantum) dynamics and (excited states) electronic structure theory for molecular systems in condensed phase, at interfaces, and within nanomaterials . Nonadiabatic dynamics Strong light-matter interactions Electron and spin transport in nanomaterials Excited-state electronic structure theory Nonequilibrium quantum dynamics

近期论文

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Memory Kernel Coupling Theory: Obtain Time Correlation Function from Higher-order Moments W. Liu, Y. Su, Y. Wang, W. Dou. arXiv:2407.01923(2024). Interband and intraband transitions, as well as charge mobility in driven two-band model with electron phonon coupling Y. Wang, W. Dou. arXiv:2406.17817(2024). Spin-lattice relaxation with non-linear couplings: Comparison between Fermi's golden rule and extended dissipaton equation of motion R. Bi, Y. Su, Y. Wang, L. Sun, W. Dou. arXiv:2404.04803(2024). Floquet nonadiabatic mixed quantum–classical dynamics in periodically driven solid systems J. Chen, Y. Wang, W. Dou. J. Chem. Phys. 160, 214101(2024). Enhancement of Chiral-Induced Spin Selectivity via Circularly Polarized Light W. Liu, J. Chen, W. Dou. arXiv:2402.00903(2024). First-principles Nonadiabatic Dynamics of Molecules at Metal Surfaces with Vibrationally Coupled Electron Transfer G. Meng, J. Gardner, W. Dou, R. J. Maurer, B. Jiang. arXiv:2401.02316(2024). Polaritons under Extensive Disordered Molecular Rotation in Optical Cavities W. Liu, J. Chen, W. Dou. arXiv:2312.16891(2023). Electronic friction near metal surface: Incorporating nuclear quantum effect with ring polymer molecular dynamics R. Bi, W. Dou. J. Chem. Phys. 160, 074110 (2024). Floquet non-equilibrium Green’s function and Floquet quantum master equation for electronic transport: The role of electron-electron interactions and spin current with circular light V. Mosallanejad, Y. Wang, W. Dou. J. Chem. Phys. 160, 164102 (2024). Stochastic resolution of identity to CC2 for large systems: excited state properties C. Zhao, Q. Ou, J. Lee, W. Dou. J. Chem. Theory Comput. 20, 5188 (2024). Optical Regulation of Chiral-Induced Spin Selectivity W. Liu, J. Chen, W. Dou. arXiv:2310.10929 (2023). Nonadiabatic dynamics near metal surfaces with periodic drivings: A generalized surface hopping in Floquet representation Y. Wang, V. Mosallanejad, W. Liu, W. Dou. J. Chem. Theory Comput. 20, 644(2024). Periodically driven open quantum systems with vibronic interaction: Resonance effects and vibrationally mediated decoupling J. Bätge, Y. Wang, A. Levy, W. Dou, M. Thoss. Phys. Rev. B 108, 195412(2023). Floquet Nonadiabatic Nuclear Dynamics with Photoinduced Lorenz-Like Force in Quantum Transport J. Chen, W. Liu, V. Mosallanejad, W. Dou. J. Phys. Chem. C (2024). Predicting rate kernels via dynamic mode decomposition W. Liu, Z. Chen, Y. Su, Y. Wang, W. Dou. J. Chem. Phys. 159, 144110 (2023). Electron transfer at molecule-metal interfaces under Floquet engineering: Rate constant and Floquet Marcus theory Y. Wang, W. Dou. ACS Phys. Chem Au. 4, 2, 160–166 (2024). Nonadiabatic dynamics near metal surfaces under Floquet engineering: Floquet electronic friction vs Floquet surface hopping Y. Wang, W. Dou. J. Chem. Phys. 159, 094103 (2023). Floquet nonadiabatic dynamics in open quantum systems V. Mosallanejad, Y. Wang, J. Chen, W. Dou. arXiv:2303.08501(2023). Nonadiabatic Dynamics Near Metal Surface With Periodic Drivings: A Floquet Surface Hopping Algorithm Y. Wang, W. Dou. J. Chem. Phys. 158, 224109(2023). Stochastic resolution of identity to CC2 for large systems: ground-state properties C. Zhao, W. Dou. arXiv:2210.12897 (2022). Tunable Tribovoltaic Effect via Metal–Insulator Transition R. Yang, Z. He, S. Lin, W. Dou, Z. Wang, H. Wang, J. Liu. Nano Lett. 22, 9084(2022). Active Spaces and Non-Orthogonal Configuration Interaction Approaches for Investigating Molecules on Metal Surfaces J. Chen, W. Dou, J. Subotnik. J. Chem. Theory Comput. 18, 7321(2022). Floquet driven frictional effects V. Mosallanejad, J. Chen, W. Dou. Phys. Rev. B 107, 184314 (2023). Nonadiabatically driven open quantum systems under out-of-equilibrium conditions: Effect of electron-phonon interaction J. Bätge, A. Levy, W. Dou, M. Thoss. Phys. Rev. B 106, 075419 (2022). Chemical reactions in imperfect cavities: enhancement, suppression, and resonance J. P. Philbin, Y. Wang, P. Narang, W. Dou. J. Phys. Chem. C 126, 14908(2022). Numerical study of non-adiabatic quantum thermodynamics of the driven resonant level model: non-equilibrium entropy production and higher order corrections K. Tong, W. Dou. J. Phys.:Condens. Matter.34 495703 (2022). Non-adiabatic quantum dynamics of tribovoltaic effects at sliding metal–semiconductor interfaces G. Liu, J. Liu, W. Dou. Nano Energy 96, 107034 (2022). Time-Dependent Second-Order Green’s Function Theory for Neutral Excitations W. Dou, J. Lee, J. Zhu, L. Mejía, D. R. Reichman, R. Baer, E. Rabani. J. Chem. Theory Comput. 18, 5221(2022). The cell-centered Finite-Volume self-consistent approach for heterostructures: 1D electron gas at the Si-SiO2 interface V. Mosallanejad, H. Li, G. Cao, K. Chiu, W. Dou, G. Guo. J.Phys.:Condens. Matter(2023). Spin polarization through a molecular junction based on nuclear Berry curvature effects H.H.Teh, W. Dou, J.E. Subotnik. Phys. Rev. B 106, 184302 (2022). Asymmetric Spin Transport in Colloidal Quantum Dot Junctions J.P. Philbin, A. Levy, P. Narang, W. Dou. J. Phys. Chem. C 125, 26661 (2021). An Antisymmetric Berry Frictional Force At Equilibrium in the Presence of Spin-Orbit Coupling H.H. Teh, W. Dou, J.E. Subotnik. Phys. Rev. B104, L201409 (2021). Semiconductor-based dynamic heterojunctions as an emerging strategy for high direct-current mechanical energy harvesting R. Yang, R. Xu, W. Dou, M. Benner, Q. Zhang, J. Liu. Nano Energy 83, 105849 (2021). Modeling Energy Transfer in Quantum Thermal Machines A. Levy, W. Dou. Physics 13, 129(2020). Electronic Structure for Multielectronic Molecules near a Metal Surface J. Chen, Z. Jin, W. Dou, J. Subotnik. J. Phys. Chem. C 125, 2884 (2021). Modeling voltammetry curves for proton coupled electron transfer: The importance of nuclear quantum effects A.J. Coffman, W. Dou, S. Hammes-Schiffer, J.E. Subotnik. J. Chem. Phys.152, 234108 (2020). Range-Separated Stochastic Resolution of Identity: Formulation and Application to Second Order Green's Function Theory W. Dou, M. Chen, T.Y. Takeshita, R. Baer, D. Neuhauser, E. Rabani. J. Chem. Phys.153, 074113 (2020). Universal approach to quantum thermodynamics of strongly coupled systems under nonequilibrium conditions and external driving W. Dou, J. Bätge, A. Levy, M. Thoss. Phys.Rev.B101, 184304 (2020). Configuration interaction approaches for solving quantum impurity models Z. Jin, W. Dou, J.E. Subotnik. J. Chem. Phys.152, 064105 (2020). Nonadiabatic Molecular Dynamics at Metal surfaces W. Dou, J.E. Subotnik. Phys. Chem. A124, 751(2020).