Advanced Techniques for Molecular Simulations

Course Description

Advanced methods for computer simulations of solids and molecules. Methods for long-range force calculation, including Ewald methods and fast multipole method. Methods for free energy calculation, such as thermodynamic integration. Methods for predicting rates of rare events (e.g. nucleation), including nudged elastic band method and umbrella sampling method. Students will work on projects in teams.

Course Details



ME 346A, or ME 346B or equivalent)

Syllabus Link

None available.
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