报告题目:Computer Modelling as a Tool in the Chemistry of Materials

报告人: Prof. Richard Catlow（University College London）

Abstract：Computer modelling techniques are now used very widely in chemical, physical and biological sciences, especially in understanding the behaviour of complex systems at the molecular level. This lecture will highlight their application to materials chemistry where the impact has been substantial in recent years. Special emphasis will be given to three important and topical areas: Crystal structure prediction; Guiding and understanding synthesis; Modelling nucleation and growth; Understanding reactivity at the molecular level.Applications to oxides, microporous silicates sulphides and molecular crystal will be discussed. Future prospects and developments in the field will be considered.

报告人简介：Professor Catlow, Fellow of the Royal Society, and Dean of Mathematical and physical Sciences at UCL, has worked for over thirty years in the field of computational and experimental studies of complex inorganic materials. His group has pioneered a wide range of applications of computational techniques in solid state chemistry to systems and problems including microporous and oxide catalysts, ionic conductors, electronic ceramics and silicate minerals. This applications programme has been supported by technique and code development, including recent work on embedded cluster methodologies for application to the study of catalytic reactions. The computational work has been firmly linked with experimental studies, using both neutron scattering and synchrotron radiation techniques, where the Royal Institute group has also made notable contributions to development as well as application studies. Professor Catlow's research has led to over 800 publications, and in 2004 he was elected to Fellowship of the Royal Society for 'pioneering the development and application of computer modeling in solid state and materials chemistry’.Publication Record: Over 800 publications, with more than 16,000 citations.

报告时间: 2011年4月8日(星期五)上午10:00

报告地点: 中国科学院半导体研究所学术沙龙室

联系人：科技处徐艳坤 82304453