个人简介

窦文杰，2013在中国科学技术大学取得物理学学士学位。2018年在宾夕法尼亚大学(University of Pennsylvania)取得化学博士学位，方向为理论计算化学。之后在加州大学伯克利分校(University of California, Berkeley)从事博士后研究。于2021年1月加入西湖大学开展独立研究工作，组建理论计算化学实验室。

学术成果

窦文杰博士主要从事激发态电子结构(excited-state electronic structure theory)和多体非绝热动力学(many-body nonadiabatic dynamics)理论研究工作。在博士期间，与合作者发展了表面跃迁 (surface hopping) 和电子阻尼 (electronic friction) 的理论计算方法研究界面非绝热动力学反应，能够高效精确计算固体表面的化学反应、化学吸附、非均相催化、半导体中的电子能量转移、电子学器件中非平衡态电子输运等复杂物理化学过程。博士后研究期间，从事大尺度激发态电子结构计算理论的研究，发展完善了随机轨(stochastic orbitals)与多体微扰格林函数(many-body perturbation theory, e.g. GW, second-order Green’s function)相结合的方法，能够高效计算大尺度多电子体系激发态特征。相关工作发表在Phys. Rev. Lett., Phys. Rev. B, J. Chem. Theory Comput., J. Chem. Phys.，被授予Dissertation Completion Fellowship, John G. Miller Graduate Fellowship, Finalist for Justin Jankunas Doctoral Dissertation Award in Chemical Physics (APS)等奖项。

代表论文

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)

联系方式

电子邮箱：douwenjie@westlake.edu.cn

窦文杰课题组围绕复杂体系激发态动力学开展理论研究工作：1）分子与光子强耦合的化学动力学及（光腔中）非线性超快光谱; 2）量子材料中的激子动力学和量子干涉调控; 3）非均相界面的ab initio非绝热动力学与电化学; 4）量子计算与量子动力学。欢迎对理论计算化学感兴趣的本科生及研究生申请课题组博士研究生。同时课题组诚招博士后（即将或已经获得博士学位）和研究助理（具有相关专业背景的本科生和研究生）。实验室提供优厚的个人待遇和有力的职业发展支持。