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【预告】Nanomaterials: Lessons from modelling and theory


【报告人】:  Prof. Nick Quirke
【报告时间】: 2014年9月15日(周一)  
下午:15:30 - 17:00

【报告地点】:科学会堂二楼会议室

报告人简介:
     Nick Quirke 现任英国帝国理工大学的物理化学系首席教授,博士生导师。并受聘为西安交通大学长江学者讲座教授。2006年到2011年期间曾担任都柏林大学副校长。在职期间,共发表SCI收录文章130余篇,所发文章H因子达39。其中包括:Nature Nanotechnology文章1篇、NanoLetters杂志2篇、Physical Review Letter文章4篇。Nick Quirke教授是英国皇家化会会员,同时他担任着国际跨学科计算期刊《分子模拟》、《实验纳米科学》和《纳米科学技术》三个SCI期刊主编。同时,Nick Quirke教授的职业横跨学术界和工业界。他曾任职于英国石油公司,作为公司分子建模方面的主力研究员,指导着英国石油公司在勘测、化工和石油领域上的建模应用研究。

报告内容:
     In the last thirty years computer based atomistic modelling techniques such as molecular dynamics and Monte Carlo have evolved from specialist techniques accessible only to a few, to forming a core part of the armoury of techniques available to the physical scientist and engineer. Similarly numerical methods of solving the Schrodinger equation, implemented in codes such as Gaussian or Crystal, are now commonly used to study complex systems. Nanomaterials are potentially of great utility in a very wide range of applications from nano-medicine to electronics. In this lecture I introduce modelling methods and their real world application through a discussion of two problems involving nanomaterials of relevance to modern societies: particulate pollution and power transmission. In both cases molecular simulation of simplified model systems can provide useful insight into the fundamental processes governing these systems.