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ENGN 2930 - Atomistic Modeling of Materials |
This class describes the fundamentals of statistical mechanics with a focus on both traditional analytic methods and modern atomistic simulations methods. The class is divided in two parts. (i) Techniques used to calculate interactions at the atomic level are first covered, from simple interatomic potentials to quantum mechanical first-principles methods. (ii) Simulations techniques to sample atomic degrees of freedom for obtaining macroscopic quantities are then discussed, such as Monte Carlo and Molecular Dynamics. The tools presented in class are illustrated with ongoing examples that illustrate how these methods work in concert. Enrollment limited to 40 graduate students.
1.000 Credit hours 1.000 Lecture hours Levels: Graduate, Undergraduate Schedule Types: Primary Meeting Engineering Department Restrictions: Must be enrolled in one of the following Levels: Graduate |
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