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数学科学学院学术报告201529:Multiscale Modeling and Computation of Optically Manipulated Nano Devices

发布时间:2015年08月15日  点击:[]

应我校数学科学学院邀请,美国密西根州立大学刘迪教授于2015年8月19日来我校进行访问讲学。欢迎数学科学学院及全校相关教师、博士生、硕士生参加!


报告题目:Multiscale Modeling and Computation of Optically Manipulated Nano Devices
报 告 人:刘迪 教授
报告人单位:美国密西根州立大学
时    间:2015年8月19日(周三)上午 9:30
地    点:8号楼七楼会议室
 


刘迪教授简介:
美国Michigan State University 教授。1999年于北京大学获理学学士学位,2003年获 Princeton University 数学博士学位。2003-2005年 Courant Institute of Mathematical Sciences 访问学者和Courant讲师, 2005-至今,Department of Mathematics, Michigan State University, 历任助理教授、终身副教授、教授。主要研究方向是多尺度建模和计算。在该领域发表高水平学术论文20余篇,是多尺度计算建模方向具有国际影响力的青年数学家。

摘要: We present a multiscale modeling and computational scheme for optical-mechanical responses of nanostructures. The multi-physical nature of the problem
is a result of the interaction between the electromagnetic (EM) field, the
molecular motion, and the electronic excitation. To balance accuracy and
complexity, we adopt the semi-classical approach that the EM field is described
classically by the Maxwell equations, and the charged particles follow the
Schr
̈oidnger equations quantum mechanically. To overcome the numerical challenge
of solving the high dimensional multi-component many- body Schr
̈odinger
equations, we further  simplify the model with the Ehrenfest molecular dynamics
to determine the motion of the nuclei, and use the Time- Dependent Current
Density Functional Theory (TD- CDFT) to calculate the excitation of the
electrons. This leads to a system of coupled equations that computes the
electromagnetic field, the nuclear positions, and the electronic current and
charge densities simultaneously. In the regime of linear responses, the resonant
frequencies initiating the out-of-equilibrium optical-mechanical responses can
be formulated as an eigenvalue problem. A self-consistent multiscale method is
designed to deal with the well separated space scales. The isomerization of
Azobenzene is presented as a numerical example.

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