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Panagiotis Theodorakis博士系列学术讲座

2019-07-02  点击:[]

波兰科学院物理研究所Panagiotis Theodorakis博士将于7月3日来校参与高端外国专家引进计划项目“基于相变和膜技术的高效热管理基础研究”,访问期间将作主题为“材料科学、流体动力学和生物学中的分子水平模拟理论”系列讲座。

地点:机电楼431会议室

欢迎有兴趣的师生参加!

Wednesday

3 July 2019

15:00

o Introduction to molecular level simulations

o Trajectories in space

o Interactions

o Statistical Ensembles

Thursday

4 July 2019

13:30

o Microcanonical Ensemble and connection to   Thermodynamics

o Canonical Ensemble and connection to Thermodynamics

o Applications

o Thermodynamic properties of ideal gas

o Virial theorem

o Isothermal – Isobaric ensemble

Friday

5 July 2019

13:30

o Grand Canonical ensemble and density fluctuations

o Mean field approximation

o Van der Waals Equation of state

o Probability distribution functions in classical   fluids

Wednesday

10 July 2019

13:30

o Thermodynamic properties

o Pair distribution and pair correlation function

o Potential of mean force

o Molecular simulations

o Monte Carlo Methods

Thursday

11 July 2019

13:30

o Markov Chains

o Metropolis algorithm

o Monte Carlo in various ensembles

o Molecular Dynamics simulation

o Molecular Dynamics simulation in various ensembles

Friday

12 July 2019

13:30

o Analysis of MD simulation results

o Brownian Dynamics

o The Fokker Planck equation

o Summary and outline of the workshop

附:

Panagiotis Theodorakis博士出生于希腊,毕业于希腊约阿尼纳大学,随后先后在德国马克斯普朗克研究所、奥地利维也纳大学以及英国帝国理工大学从事研究工作。他曾获得欧洲玛丽居里学会会员、马克斯普朗克学会会员等多项头衔,目前在波兰科学院物理所任教。Panagiotis Theodorakis博士长期从事微观流体数值模拟的相关研究工作,曾与分子动力学领域的著名学者Binder教授共事,在微观与介观数值模拟领域具有深厚的研究背景,在分子动力学、蒙特卡洛算法以及格子玻尔兹曼方法等方向发表过50多篇SCI论文,同时也是多家相关期刊的审稿人。

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