After a general background on the theories of open quantum systems, I will present the Dissipaton Equation of Motion (DEOM) theory [1], developed in my group since 2014. Physically, dissipatons are statistical quasi-particles that describe the influences of Gaussian hybrid environments. The underlying dissipaton algebra includes especially the generalized Wick's theorem for both hybridization coordinates [1,2] and conjugated momentums [3]. This generalizes and enriches the existing exact and nonperturbative approaches, such as the numerical renormalization group method, the Feynman-Vernon path-integral influence functional formalism and its time-derivative equivalence. The DEOM theory enables accurate evaluations on strongly correlated impurities systems, covering from thermodynamics to quantum transport and quantum noise problems. I will also present some all-first-principles studies on realist single-molecular spintronic systems, which combine the DEOM dynamics and the conventional electronic structural determinations [4].
1. Y. J. Yan, J. Chem. Phys. 140, 054105 (2014); Y. J. Yan, J. S. Jin, R. X. Xu, and X. Zheng, Front. Phys. 11, 110306 (2016).
2. J. S. Jin, S. K. Wang, X. Zheng, and Y. J. Yan, J. Chem. Phys. 142, 234108 (2015); H. D. Zhang, R. X. Xu, X. Zheng, and Y. J. Yan, Mol. Phys. 116, 780 (2018).
3. Y. Wang, R. X. Xu, and Y. J. Yan, J. Chem. Phys. 152, 041102 (2020).
4. L. Z. Ye, X. L. Wang, D. Hou, R. X. Xu, X. Zheng, and Y. J. Yan, WIREs Comp. Mol. Sci. (2016); X. L. Wang, Dong Hou, X. Zheng, and Y. J. Yan, J. Chem. Phys. 144, 034101 (2016); X.L. Wang, L.Q. Yang, L. Z. Ye, X. Zheng, and Y. J. Yan, J. Phys. Chem. Letts. 9, 2418 (2018).
Research Interests
Quantum mechanics of open systems -- Develop theories, models, and computational methods for a wide range of systems: Quantum dissipation and many-particle dynamics; Strongly correlated electronic systems; Quantum coherence in biological systems; Long-range charge transfer and quantum transport in complex molecular systems; Quantum optics and optical spectroscopy; Chemical reaction dynamics in solutions.
Publications: ~ 270; Citation: 6632/8286; H-Index: 50
B.S. (01/1982): 化学, 上海复旦大学
Ph.D. (02/1989): 化学, 美国 罗切斯特大学，师从Shaul Mukamel教授，凝聚态分子光谱理论
博士后: 02/1988-04/1990, 美国 罗切斯特大学; 合作者: Shaul Mukamel教授
博士后/副研究员: 05/1990-01/1994, 美国 加州大学圣地亚哥分校，优化光控制化学理论研究
合作者: Kent R. Wilson教授,
02/1994-06/2016, 香港科技大学 化学系; 助教授(94-98)/副教授(98-04)/ 教授(04--)
07/2010 - 中国科学技术大学, 教授
Honor/Award:
1999: Outstanding Overseas Young Scientist (海外杰出青年）, NNSF, China
2003: Outstanding Overseas Scientist (海外杰出科学家）, CAS, China
2013: American Physical Society Fellow (For his pioneering and seminal investigations of the fundamental theory for quantum dissipative dynamics of open systems, together with applications to the systems involved in laser manipulation and detection, time-dependent quantum transport, nonlinear optical spectroscopy, and strong electron-electron interactions)