MSE 485

fall 2004

All Classes

Atomic Scale Simulations

Credit: 3 OR 4 hours.

(MATSE 385) The objective is to learn and apply fundamental techniques of Monte Carlo and Molecular Dynamics used in (primarily classical) simulations in order to help understand and predict properties of microscopic systems in materials science, physics, biology, and chemistry. Numerical algorithms, connections between simulation results and real properties of materials (structural or thermodynamic), as well as statistical and systematic error estimation using real simulation programs will be emphasized. A simulation project composed of scientific research, algorithm development, and presentation is required. Same as CSE 485, and PHYS 466. 3 undergraduate hours. 4 graduate hours. Prerequisite: A course in statistical mechanics or statistical thermodynamics and prior experience in programming in C, C++, or Fortran; or consent of instructor.

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