报告介绍 Using density functional theory calculations, we have studied structural models, reaction mechanisms and electromagnetic properties of various nanostructures on semiconductor surfaces. We have investigated structural model of H2 dissociative adsorption on Si(001) as a prototype of molecular reaction on semiconductor surface. The dissociative adsorption of an H2 molecule on the Si(001) surface has be...

报告介绍 Multiple scattering theory method is an unique approach to ab initio electronic structure calculations within the framework of density functional theory (DFT) with local density approximation (LDA). Its convenience for calculating the Green function makes it extremely useful for the study of defects, random alloys, and electronic transport properties. In the presentation, I will give an overview of ...

报告介绍 High performance computing technology has made significant progress in the recent years and has brought new opportunities for large scale scientific simulation applications. In this presentation, I will give an overview of the current development in high performance computing. For materials science application, I will discuss a fully scalable electronic structure calculation method based on multiple...

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报告介绍 Free radicals are short-lived, highly reactive open-shell species. They play important roles in a wide range of reactive environments (combustion, atmosphere, plasmas, and interstellar). Studies of free radical photodissociation probe electronic structures and multiple potential energy surfaces (PES's) of the open-shell species, as well as their influences on chemical dynamics and dissociation pathw...

报告介绍 主要讲述微流技术的原理及其应用。

报告介绍 Rabitz教授为美国普林斯顿大学化学系教授，曾任系主任，主要研究方向为量子控制，主要学术成就包括建立了控制量子现象的基本理论基础，并且设计了相应闭环反馈的实验方案，被广泛应用；为科学和工程中大量涉及的高维数学问题提出了高维模型表示和其它一些数学和实用的方法。Rabitz教授共发表论文将近800篇，包括Science，Nature, Physical Review Letters等国际顶级刊物，还曾获“洪堡基金奖”、“兰姆激光科学和量子...

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报告介绍 Large electromagnetic field (E) enhancement enabling ultra-sensitive surface enhanced Raman spectroscopy (SERS) has been realized within a gap region of noble metallic nanostructures serving as a plasmonic nanoantenna. However, despite 30+ years of extensive research, SERS is yet to be realized as a routine analytical tool partly due to our inability to controllably fabricate clean and reproducible ...

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