Exp. Procedures
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 What do we do in the lab:

During your experience in the MD laboratory you will learn to analyze physical problems through the eye of the calculational theoretician. You will:

•Learn the theory connecting the microscopic behavior of a collection of particles to its macroscopic properties

http://stuff.mit.edu/afs/athena/course/1/1.061/www/dream/animenu.htm
(source: http://stuff.mit.edu/afs/athena/course/1/1.061/www/dream/animenu.htm)

•Calculate thermodynamic properties of an ensemble of harmonic oscillators using a self-made computer program

Moore, Collins, Davies. 'Chemistry' McGraw-Hill Companies (1978).
(source: http://chempaths.chemeddl.org/services/chempaths/?q=book/General%20Chemistry%20Textbook/Gases/1395/kinetic-theory-gases-distribution-molecular-speeds)

•Analyze structural and thermodynamic properties of Argon in its liquid state using data obtained by a MD simulation

 

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What is expected of you?

  1. Be creative!
  2. Have patience -- be kind to your computer!
  3. Be prepared - understand the physics and numerics behind the scenes.