KAN Zigui

Source:理学院英文网  Time:2017-12-26  Page Views:10

Zigui Kan

Research Summary

Dr. Kan is primarily interested in developing molecular simulation methods and extending their applications to various biological and functional material systems.

Academic Experience

2016-present, Lecturer of Physical Chemistry, China Pharmaceutical University



PhD in Physical Chemistry, Nanjing University


Master in Condensed Matter Physics, Fujian Institute of Research on The Structure, Chinese Academy of Sciences


Bachelor in Chemistry, Nankai University

(1) Zigui Kan, Qiang Zhu, Lijiang Yang*, Zhixiong Huang, Biaobing Jin, and Jing Ma*, Polarization Effects on the Cellulose Dissolution in Ionic Liquids: Molecular Dynamics Simulations with Polarization Model and Integrated Tempering Enhanced Sampling Method, J. Phys. Chem. B, 2017,121: 4319–4332.

(2) Zigui Kan, Dong Zheng and Jing Ma*, Self-aggregation of trehalose in the mixed solvents of 1,3-dimethylimidazolium ionic liquid and water, Molecular Simulation, 2017: 1-12.

(3) Electrostatic Interactions of Water in External Electric Field: Molecular Dynamics Simulations, Qiang Zhu, Zigui Kan, Jing Ma*, Journal of Electrochemistry, 2017, 23 (04): 391-399

(4) Fei Wang, Zigui Kan, Fei Cao, Qi Guo, Yinlong Xu, Caiyu Qi, Caolong Li* , Synergistic effects of CdS in sodium titanate based nanostructures for hydrogen evolution, 2017, Accepted. DOI:doi.org/10.1016/j.cclet.2017.11.030

(5) Factor Analysis of Conformations and NMR Signals of Rotaxanes: AIMD and Polarizable MD Simulations, Pingying Liu, Wei Li, Zigui Kan, Hui Sun, and Jing Ma*, J. Phys. Chem. A 2016, 120, 490−502

(6) Polarization Effect and Electric Potential Changes in the Stimuli-Responsive Molecular Monolayers Under an External Electric Field, Jun Zhao, Xingyong Wang, Nan Jiang, Tianying Yan, Zigui Kan, Paula M. Mendes, and Jing Ma*, J. Phys. Chem. C, 2015, 119 (40),  

(7) Zigui Kan, Xiufen Yan, and Jing Ma*, Conformation Dynamics and Polarization Effect of α,α-Trehalose in a Vacuum and in Aqueous and Salt Solutions, J. Phys. Chem. A 2015, 119, 1573−1589.

(8) Fengqi Cao, Yueling Shen, Zigui Kan*, Bis­(benzoato-κ2 O, O′)(2,2′-bipyridyl-κ2 N, N′)zinc(II). Acta Crystall. E, 2006, 62(11), m2955-m2956.

(9)Zigui Kan, Wen-dan Cheng*, Dong-sheng Wu, Hao Zhang, Ya-jing Gong, Hua-nan Tong, Crystal Structure, Energy Band and Optical Properties of Phosphate In(PO3)3. Chinese J. Struct. Chem. 2005, 12, 1468-1475.

Email: ziguik@cpu.edu.cn