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


Education

2009-2017 

PhD in Physical Chemistry, Nanjing University

2002-2005

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

1998-2002

Bachelor in Chemistry, Nankai University


Publications:
(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