Members

The current members of the laboratory are listed below. Their areas of interest are indicated. You can email them using the appropriate link.

Groups

  • Prof. Dr. Lu, Wencong email
    • Dr. Wen-Cong Lu 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.
  • Associate Prof. Dr. Bao, Xinhuaemail
    • Be good at computation and experiment on phase diagram, materials optimization.
  • Liu, Liang email
    • Working on intelligent data base and novel data mining methods.
  • Liu, Xu email
    • Working on development of support vector machine and MASTER software package.
  • Dr. Zhang, Liangmiaoemail
    • Working on materials design and preparation of nanoscaled Al2O3 at low cost.
  • Dr. Yue, Baohua email
    • Working on synthesis and application of new catalytic materials.
  • Dr. Li, Minjie email
    • Working on thermodynamics and kinetics of DNA, RNA, protein, amino acids and other molecules in bio-systems from first principles methods.

    Next>>