个人简历

2014.9 – 至今，吉林大学理论化学研究所，副教授。 2012.12 – 2014.9，吉林大学理论化学研究所讲师。 2009.9 - 2012.12 博士研究生，物理化学专业，吉林大学理论化学研究所。 2010.10 - 2012.04 国家建设高水平大学公派研究生项目联合培养博士生，荷兰埃因霍温理工大学。 2006.09 - 2009.06 硕士研究生,中国科学院生态环境研究中心。 2002.09 - 2006.06 本科生，复旦大学环境科学与工程系。

研究领域

(a)Reactions on the surface of inorganic and organic matters are of great interest. With the development of molecular dynamics, coarse grain molecular dynamics, and the aid of quantum mechanics, we may accurately simulate surface interactions between different matters. One of my research interests is on surface reaction and surface adsorption. E.g. physical and chemical adsorbing dye molecules and organic molecules on the surface of metal (Au/Pt…) or metal oxides (TiO2/SiO2…); Small molecules adsorbed onto carbon nanotube; Gas molecules adsorbing onto metal (metal oxide) clusters. (b)GPU accelerated molecular dynamics on biological systems, including enzyme adsorbing on gold surface; studying the penetration of cell membrane by drug molecules or peptides. These studies can be helpful in drug design. (c)Designing the trace ion(e.g. cyanide)detection reagents and investigating the detecting mechanism with both theoretical and experimental (probably in future). The complex reaction processes including ions approaching the reaction sites, the TS states, and the excitation processes. Both quantum mechanics study and molecular dynamics study are involved.

近期论文

(1) C.-P. Kong ，E. A. J. F. Peters，Q.-C. Zheng，G. de With ，H.-X. Zhang ，The molecular configuration of a DOPA/ST monolayer at the air-water interface: a molecular dynamics study，Physical Chemistry Chemical Physics，2014.01.01，16（20）：9634~9642 (2) C.-P. Kong ，E. A. J. F. Peters，G. de With，H.-X. Zhang ，Molecular dynamics simulation of a DOPA/ST monolayer on the Au(111) surface，Physical Chemistry Chemical Physics，2013.01.01，15（37）：15426~15433 (3) Kong, Chui-peng ，Jia, Ran ，Zhao, Yu-guang，Wang, Jian，Qu, Ze-xing，Zhang, Hong-xing，Why HS- and CN- can be detected by different chemosensors with similar structures: a quantum mechanics and molecular dynamics study，Rsc Advances，2016.01.01，6（68）：63548~63558 (4) C.-P. Kong ，Y.-L. Cui，J.-L. Zhang，Q.-C. Zheng ，H.-X. Zhang ，Mechanism of A pH-induced Peptide Inserting into a POPC Bilayer: A Molecular Dynamic Study，Current Pharmaceutical Biotechnology，2014.01.01，15（9）：814~822 (5) Kong, Chui-Peng ，Zhao, Zeng-Xia，Zhang, Hong-Xing ，Theoretical study of gas phase reactions of important SOA intermediates: (cis- and trans-) BEPOX and beta-IEPOX with OH radical，International Journal of Quantum Chemistry，2013.4.15，113（8）：1162~1170 (6) Kong Chui-Peng ，Zhao, Zeng-Xia，Zhang, Hong-Xing ，Theoretical computation of low-lying electronic states of HCNS: A CASPT2 study，International Journal of Quantum Chemistry，2013.5.5，113（9）：1416~1421 (7) Kong Chui-peng ，Zhang Hong-xing ，Zhao Zeng-xia，Zheng Qing-chuan，Molecular Dynamic Studies on Langmuir Monolayers of Stearic Acid，Chemical Research in Chinese Universities，2013.6.1，29（3）：545~550 (8) Sun, Xiao-Fei ，Zhang, Zhi-Xiang，Li, Wei，Bai, Fu-Quan，Wang, Jian，Jia, Ran，Kong, Chui-Peng ，Zhang, Hong-Xing ，DFT/TD-DFT calculation on the sensing mechanism of a dual response near-infrared fluorescent chemosensor for superoxide anion and hydrogen polysulfides: photoinduced electron transfer，Rsc Advances，2016.01.01，6（106）：104735~104741 (9) Shen, Dong，Kong, Chui-Peng，Jia, Ran，Fu, Peng，Zhang, Hong-Xing，Investigation of Properties of Mg-n Clusters and Their Hydrogen Storage Mechanism: A Study Based on DFT and a Global Minimum Optimization Method，Journal of Physical Chemistry A，2015.4.16，119（15）：3636~3643 (10) Fu, Peng，Jia, Ran，Kong, Chui-Peng，Eglitis, Roberts I.，Zhang, Hong-Xing，From determination of the fugacity coefficients to estimation of hydrogen storage capacity: A convenient theoretical method，International Journal of Hydrogen Energy，2015.9.14，40（34）：10908~10917 (11) Wang, Yan， Zheng, Qing-Chuan， Kong, Chui-Peng， Tian, Ye， Zhan, Jiuyu，Zhang, Ji-Long，Zhang, Hong-Xing，Heparin makes differences: a molecular dynamics simulation study on the human beta II-tryptase monomer，Molecular Biosystems，2015.1.01，11（1）：252~261 (12) Chen, Xi，Kong, Chui-Peng，Bai, Fu-Quan，Zhang, Hong-Xing，Theoretical study on the electronic structures and properties of diindolocarbazole isomers，Journal of Physical Organic Chemistry，2014.12.01，27（12）：973~980 (13) Xia, Hong-Qiang，Kong, Chui-Peng，Wang, Jian，Bai, Fu-Quan，Zhang, Hong-Xing，Design of D-A-pi-A organic dyes with different acceptor and auxiliary acceptor for highly efficient dye-sensitized solar cells: a computational study，RSC Advances，2014.01.01，4（92）：50338~50350 (14) W. Li，L. G. C. Rego，F.-Q. Bai，C.-P. Kong，H.-X. Zhang，Theoretical investigation of the adsorption, IR, and electron injection of hydroxamate anchor at the TiO2 anatase (101) surface，RSC Advances，2014.01.01，4（38）：19690~19693 (15) Xie, Miao， Chen, Jie， Wang, Jian，Kong, Chui-Peng，Bai, Fu-Quan ，Jia, Ran，Zhang, Hong-Xing，Exploring the sensitization properties of thienyl-functionalized tripyrrole Ru(II) complexes on TiO2 (101) surface: a theoretical study，Theoretical Chemistry Accounts，2015.3.20，134（4） (16) Hao, Li， Bai, Fu-Quan， Kong, Chui-Peng， Bibi, Shamsa， Zhang, Hong-Xing，Theoretical studies of heteroatom-doping in TiO2 to enhance the electron injection in dye-sensitized solar cells，RSC Advances，2015.01.01，5（97）：79868~79873 (17) Nie, Yulun， Hu, Chun，Kong, Chuipeng，Enhanced fluoride adsorption using Al (III) modified calcium hydroxyapatite，Journal of Hazardous Materials，2012.9.30，233：194~199