People

　The current members of the laboratory are listed below, and their area of interest indicated. You can email people using the appropriate link.

Groups

　Dr. Wen-Cong Lu was born in 1964. He acquired bachelor degree of physical chemistry from TsingHua University in 1986; Master degree of physical chemistry from Shanghai University in 1991; Doctor degree of materials physics and chemistry from Chinese Academy of Sciences in 1999.

　Now he is working as a professor in Department of Chemistry of College of Sciences and a PHD supervisor in School of Materials Sciences, Shanghai University; vice dean of college of Sciences of Shanghai University; the director of Chemical Data Mining Laboratory of Shanghai University; the director of Molecular Science Society of Shanghai (2002~present); a commissioner of Computer Chemistry Council, Chemical Society of China (2000~present).

　Prof. Lu is interested in chemical data mining methods and applications in QSAR/QSPR of drugs, chemicals, materials design and industrial optimization. He was succeeded in applying pattern recognition, artificial neural networks and support vector machine for optimization of PTC materials, prediction of formation of ternary intermetallic compounds, prediction of anti-HIV-1 activities of HEPT-analog compounds and industrial optimization of ammonia synthesis etc. His ongoing projects include “Study on Ensemble Learning Method for Drug QSAR problems” supported by NSFC, and “Prediction and optimization of properties of inorganic materials by using novel data mining methods” supported by NSFC-RFBR. In the past 16 years, he published 50+ refereed English papers in several professional journals and conferences, as well as 60+ refereed Chinese papers.

　Be good at computation and experiment on phase diagram, materials optimization

　Working on intelligent data base and novel data mining methods

　Working on development of support vector machine and MASTER software package

　Working on materials design and preparation of nanoscaled Al2O3 at low cost

　Working on synthesis and application of new catalytic materials

　Working on thermodynamics and kinetics of DNA, RNA, protein, amino acids and other molecules in bio-systems from first principles methods

Graduate Students

　Interest in Materials Design and Molecular Design and Industrial Optimization

　Interest in Molecular Simular and Molecular Design

　Development on DMOS software package and interest in Materials Design

　Study On QSAR and Biochemistry, and also get interesting in developing online predicting server based on JAVA language

　Working on the development of database for molten salt systems phase diagram(using Java language) and study on quantitative structure property relationships of oxide ion conduction and chemical parameters based on data mining

　Study on quantitative structure property/activity relationships of compounds

　Insterest in Quantitative Structure Activity Relationship(QSAR) studies on Tyrosine kinase inhibitors

　The Preparation and Studies on the Properties of Nano-Al2O3 by Hydrothermal Method

　Preparation and characterization of automobile cold starting exhaust gases purification perovskite catalyst

　Working on the preparation/property and application of nano-materials, such as nano-Al2O3/nano-MnO2 and other oxides

Former Students

Feng Jianxing,Wang Kun, Zhao Hui, Liu Taiang, Dong Ning, Zhai Wenhua, Luo Yunyun, Xu Zhanfeng, Zhang Zhen, Lu Weiying, Yan Yueran, Yuan Fuxing, Yin Wenyu