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CCS Seminar

THURSDAY - February 1, 2007
(Please NOTE this seminar will be held on a THURSDAY
AT 3:00 PM)

Professor Francis Starr
Physics Department - Wesleyan University
3:00 pm
Physics Research Building - Room 595
3 Cummington Street - 5th Floor
"Molecular Dynamics Calculations: What can they do for you?"

Abstract: In this seminar, I will introduce the method of classical molecular dynamics (MD) simulations and illustrate the utility of the method by showing several example problems. The background material will cover the basic elements of a simulation, as well as discuss some of the more advanced techniques, such as multiple time step integration methods. I will briefly show the application of these methods to three model systems: (i) liquid water; (ii) polymer-nanoparticle composites: (iii) self-assembly of DNA-like supermolecules.

 

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