
电子邮件: qshi@iccas.ac.cn
通信地址: 北京海淀中关村北一街2号
邮政编码: 100190
研究领域
复杂体系的动力学研究
Ø 凝聚相体系的量子动力学
Ø 光电功能有机纳米结构的理论研究
Ø 生物大分子构象变化的动力学
教育背景
学历
学位
工作经历
工作简历
出版信息
发表论文
· Q. Shi, S. Izvekov, and G. A. Voth, “Mixed atomistic and coarse-grained molecular dynamics: simulation of a membrane-bound ion channel”, J. Phys. Chem. B 110, 15045 (2006).
· Q. Shi and G. A. Voth, “Multi-scale modeling of phase separation in mixed lipid bilayers”, Biophys. J. 89, 2385 (2005).
· Q. Shi and E. Geva, “A comparison between different semiclassical approximations for optical response functions in nonpolar liquid solutions”, J. Chem. Phys. 122, 064506 (2005).
· Q. Shi and E. Geva, “A derivation of the mixed quantum-classical Liouville equation from the influence functional formalism”, J. Chem. Phys. 121, 3393 (2004).
· Q. Shi and E. Geva, “Nonradiative electronic relaxation rate constants from approximations based on linearizing the path-integral forward-backward action”, J. Phys. Chem. A 108, 6109 (2004).
· Q. Shi and E. Geva, “A semiclassical generalized quantum master equation for an arbitrary system-bath coupling”, J. Chem. Phys. 120, 10647 (2004).
· Q. Shi and E. Geva, “A new approach to calculate the memory kernel of the generalized quantum master equation for an arbitrary system-bath coupling”, J. Chem. Phys. 119, 12063 (2003).
· Q. Shi and E. Geva, “Vibrational energy relaxation in liquid oxygen from a semiclassical molecular dynamics simulation”, J. Phys. Chem. A 107, 9070 (2003).
· Q. Shi and E. Geva, “A semiclassical theory of vibrational energy relaxation in the condensed phase”, J. Phys. Chem. A 107, 9059 (2003).
· Q. Shi and E. Geva, “A relationship between semiclassical and centroid correlation functions”, J. Chem. Phys. 118, 8173 (2003).
指导学生
景园园 硕士研究生 070304-物理化学 80032-化学研究所
李会学 博士研究生 070304-物理化学 80032-化学研究所