This course introduces the principles underlying common methods of numerical simulations used in the nanosciences, going from the atomistic scale to the continuum. It discusses the appropriateness of atomic scale and continuum modeling. One of the goals is to understand the principles of the models and algorithms used in standard codes.
• Choice of models and methods • Overview of problems and scales • Atomistic models (with and without electrons) • Finite element methods • Interpolation functions for the estimating displacements