Publications

See google scholar for a complete list of publications



1. G. Liu, J. Liu, W. Dou. “Nonadiabatic quantum dynamics of tribovoltaic effects at sliding metal-semiconductor interfaces” arXiv: 2112.04687 (2021)

2. H.H. Teh, W. Dou, J.E. Subotnik “Spin Polarization through A Molecular Junction Based on Nuclear Berry Curvature Effects” arXiv:2111.12815 (2021)

3. J.P. Philbin, A. Levy, P. Narang, W. Dou “Asymmetric Spin Transport in Colloidal Quantum Dot Junctions” J. Phys. Chem. C 125, 26661 (2021)

4. H.H. Teh, W. Dou, J.E. Subotnik “Antisymmetric Berry Frictional Force At Equilibrium in the Presence of Spin-Orbit Coupling” Phys. Rev. B104, L201409 (2021)

5. R. Yang, R. Xu, W. Dou, M. Benner, Q. Zhang, J. Liu. “Semiconductor-based dynamic heterojunctions as an emerging strategy for high direct-current mechanical energy harvesting” Nano Energy 83, 105849 (2021)

6. A. Levy, W. Dou. “Modeling Energy Transfer in Quantum Thermal Machines”Physics 13, 129(2020)


Before 2020


7. J. Chen, Z. Jin, W. Dou, J.E. Subotnik. “Electronic Structure for Multielectronic Molecules near a Metal Surface” J. Phys. Chem. C 125, 2884 (2021)

8. A.J. Coffman, W. Dou, S. Hammes-Schiffer, J.E. Subotnik. “Modeling voltammetry curves for proton coupled electron transfer: The importance of nuclear quantum effects”J. Chem. Phys.152, 234108 (2020)

9. W. Dou, M. Chen, T.Y. Takeshita, R. Baer, D. Neuhauser, E. Rabani. “Range-Separated Stochastic Resolution of Identity: Formulation and Application to Second Order Green's Function Theory”J. Chem. Phys.153, 074113 (2020)

10. W. Dou, J. Bätge, A. Levy, M. Thoss. “Universal approach to quantum thermodynamics of strongly coupled systems under nonequilibrium conditions and external driving”Phys.Rev.B101, 184304 (2020)

11. Z. Jin, W. Dou, J.E. Subotnik. “Configuration interaction approaches for solving quantum impurity models”J. Chem. Phys.152, 064105 (2020)

12. W. Dou, J.E. Subotnik. “Non-Adiabatic Molecular Dynamics at Metal surfaces”J. Phys. Chem. A124, 751(2020)

13. 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)

14. 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)

15. A. Levy, W. Dou, E. Rabani, D.T. Limmer. “A complete quasiclassical map for the dynamics of interacting fermions”J. Chem. Phys.150, 234112 (2019)

16. J.E. Subotnik, G. Miao, N. Bellonzi, H.H. Teh, W. Dou. “A demonstration of consistency between the quantum classical Liouville equation and Berry’s phase and curvature for the case of complex Hamiltonians”J. Chem. Phys.151, 074113 (2019)

17. W. Dou, J. E. Subotnik. “Perspective: How to understand electronic friction”J. Chem. Phys.148, 230901 (2018)

18. 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)

19. W. Dou, J. E. Subotnik. “Universality of electronic friction. II. Equivalence of the quantum-classical Liouville equation approach with von Oppen's nonequilibrium Green's function methods out of equilibrium”Phys. Rev. B97, 064303 (2018)

20. 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)

21. G. Miao, W. Dou, J. E. Subotnik. “Vibrational Relaxation at a Metal Surface: Electronic Friction Versus Classical Master Equations”J. Chem. Phys.147, 224105 (2017)

22. 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)

23. 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)

24. 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)

25. W. Dou, J. E. Subotnik. “Electronic friction near metal surfaces: A case where molecule-metal couplings depend on nuclear coordinates”J. Chem. Phys.146,092304 (2017)

26. 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)

27. W. Ouyang, W. Dou, A. Jain, J. E. Subotnik. “Dynamics of Barrier Crossings for the Generalized Anderson–Holstein Model: Beyond Electronic Friction and Conventional Surface Hopping”J. Chem. Theory Comput.12, 4178 (2016)

28. W. Dou, A. Nitzan, J. E. Subotnik. “Molecular electronic states near metal surfaces at equilibrium using potential of mean force and numerical renormalization group methods: Hysteresis revisited”J. Chem. Phys.144, 074109 (2016)

29. 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)

30. W. Dou, A. Nitzan, J. E. Subotnik. “Frictional effects near a metal surface”J. Chem. Phys.143, 054103 (2015)

31. W. Dou, A. Nitzan, J. E. Subotnik. “Surface hopping with a manifold of electronic states. III. Transients, broadening, and the Marcus picture”J. Chem. Phys.142, 234106 (2015)erratum

32. 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)

33. W. Ouyang, W. Dou, J. E. Subotnik. “Surface hopping with a manifold of electronic states. I. Incorporating surface-leaking to capture lifetimes”J. Chem. Phys.142, 084109 (2015)