2011-2012 University Catalog 
  
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2011-2012 University Catalog

CSI 786 - Molecular Dynamics Modeling

Credits: 3 (NR)
Introduces simulation methods in physical chemistry sciences. Covers computational approaches to modeling molecular and condensed matter systems, including interatomic and molecular potentials, molecular dynamics, time averages, ensemble distributions, numerical sampling, thermodynamic functions, response theory, transport coefficients, and dynamic structure. Includes stochastic simulations such as Brownian motion, Langevin dynamics, Monte Carlo methods and random walks, and introduction to cellular automata.

Prerequisite(s): PHYS 613/CSI 780 or CHEM 633/CSI 711, or permission of instructor.

Hours of Lecture or Seminar per week: 3
Hours of Lab or Studio per week: 0