时间：2021年7月1日（周四）下午16:00-17:30

Time：16:00-17:30, Thursday, July 1^st, 2021

主持人: 西湖大学理学院PI 窦文杰 博士

Host: Dr. Wenjie Dou, PI of School of Science, Westlake University

地址：西湖大学云栖校区5号楼一楼学术报告厅

Venue: Lecture Hall, 1F, Building 5, Yunqi Campus

史强 研究员

中国科学院化学研究所

Prof. Qiang Shi

Institute of Chemistry, Chinese Academy of Sciences

主讲人/Speaker：

Qiang Shi, currently professor of chemistry at the Institute of Chemistry, Chinese Academy of Sciences (ICCAS), received his B. Sc. In 1995, and Ph.D. in 2000 from University of Science and Technology of China (USTC). Following postdoctoral appointments at University of Michigan and University of Utah, he joined ICCAS in 2007. Dr. Shi's research focuses on theoretical studies of quantum dynamics in condensed phases, including developments of new theoretical methods, and applications of them to study quantum effects of the nuclear motion in condensed phase chemical reactions, charge and excitation energy transfer dynamics, and related spectroscopic phenomena. Since 2017, Dr. Shi also serves as an associate editor of the Journal of Chemical Physics.

讲座摘要/Abstract:

The non-perturbative hierarchical equations of motion (HEOM) method has recently developed into an important tool to simulate quantum dynamics in condensed phase. I will present some new progresses on the HEOM method and its applications, which include: (1) New algorithms that can efficiently treat complex system-bath interactions based on the combination of HEOM and tensor network methods. (2) Applications of the HEOM to proton transfer reaction in condensed phases, where different reaction mechanisms are investigated to reveal the nuclear quantum effects. (3) Charge carrier transport and charge carrier separation in molecular semiconductors, where effects charge delocalization and electron-phonon couplings are investigated. (4) Simulation of ultrafast pump-probe and two-dimensional spectroscopy of photosynthetic light-harvesting complexes.

References:

[1] H. Liu, L.-L. Zhu, S.-M. Bai, and Q. Shi, J. Chem. Phys. 140, 134106 (2014). 

[2] Y.-M. Yan, L.-Z. Song and Q. Shi, J. Chem. Phys. 148, 084109 (2018)

[3] Y. Xu, K. Song, and Q. Shi, J. Chem. Phys., 148, 102322 (2018).

[4] Q. Shi, Y. Xu, Y.-M. Yan, and M. Xu, J. Chem. Phys. 148, 174102 (2018).

[5] X. Leng, Y.-M. Yan, R.-D. Zhu, K. Song, Y.-X. Weng, and Q. Shi, J. Phys. Chem. B 122, 4642 (2018).

[6] Y.-M. Yan, Y.-Y. Liu, T. Xing, and Q. Shi, Wiley Interdiscip. Rev. Comput Mol. Sci. 11, e1498 (2021).

[7] Y.-M. Yan, M. Xu, T.-C. Li, and Q. Shi, J. Chem. Phys. 154, 194104 (2021).

[8] Y.-Y. Liu , Y.-M. Yan, T. Xing and Q. Shi, J. Phys. Chem. B 125, 5959 (2021).

讲座联系人/Contact:

理学院，吴老师，邮箱：wuyunqin@westlake.edu.cn

School of Science, Ms. Wu, Email: wuyunqin@westlake.edu.cn