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George Mason University

2016-2017 University Catalog

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2016-2017 University Catalog

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CSI 786 - Molecular Dynamics Modeling

Credits: 3
Not Repeatable for Credit
Offered by Computational and Data Sciences

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): CSI 690 or equivalent, CSI 780 or CHEM 633/CSI 711, or permission of instructor.
Schedule Type: LEC
Hours of Lecture or Seminar per week: 3
Hours of Lab or Studio per week: 0

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CSI 786 - Molecular Dynamics Modeling