This course provides an introduction to the general computer and programming concepts, which are necessary to perform numerical calculations, representations and simulations in materials science.

This course gives an introduction to the use of stochastic methods for the simulation of materials and their properties. Basic concepts of stochastics and probability theory are discussed, as well as how to implement and run the corresponding simulations within Python.

Introduction into various simulation techniques in materials science with special focus on atomistic methods (molecular dynamics, Monte Carlo techniques). We will discuss the necessary physical background as well as the practical application and implementaton of these methods using code developed during the course and using publically available software libraries.

Introduction to simulation techniques that are relevant for material science. Simulation methods for continua (finite differences, finite elements), mesoscopic methods (cellular automata, mesoscopic Monte Carlo methods), microscopic methods (Molecular Dynamics, Monte-Carlo simulations, Density Functional Theory).