MSE 485
Atomic Scale Simulations

Credit:  3 or 4 hours.


Fundamental techniques of Monte Carlo and Molecular Dynamics are used in (primarily classical) simulations to 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 are 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: One of CHEM 444, CHBE 321, MSE 401, ME 404, PHYS 427; C or C++, or Fortran programming experience.