## Claude Ederer: Catalogue data in Autumn Semester 2018 |

Name | Prof. Dr. Claude Ederer |

Address | Professur für Materialtheorie ETH Zürich, HIT G 23.8 Wolfgang-Pauli-Str. 27 8093 Zürich SWITZERLAND |

Telephone | +41 44 633 81 68 |

Fax | +41 44 633 14 59 |

claude.ederer@mat.ethz.ch | |

Department | Materials |

Relationship | Adjunct Professor |

Number | Title | ECTS | Hours | Lecturers | |
---|---|---|---|---|---|

327-0308-00L | Programming Techniques in Materials Science | 2 credits | 2G | C. Ederer | |

Abstract | This course introduces the general computing and programming skills which are necessary to perform numerical computations and simulations in materials science. This is achieved using the numerical computing environment Matlab and through the use of many practical examples and exercises. | ||||

Learning objective | On passing this course, the students should be able to develop their own programs for performing numerical computations and simulations, and they should be able to analyse and amend existing code. | ||||

Content | Introduction to Matlab; input/output; structured programming using loops and conditional execution; modular Programming using functions; flow diagrams; numerical accuracy; example: random walk model. | ||||

327-0508-00L | Simulation Techniques in Materials Science | 4 credits | 2V + 2U | C. Ederer | |

Abstract | 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). | ||||

Learning objective | Learn techniques which are used in the computer-based study of the physics of materials; Obtain an overview of which simulation techniques are useful for which type of problems; develop the capability to transform problems in materials science into a form suitable for computer studies, including writing the computer program and analyzing the results. | ||||

Content | - Modeling and simulation techniques in materials science. - Simulation methods for continua (finite differences, basic idea of finite elements). - Mesoscopic methods (Cellular automata, phase-field models, mesoscopic Monte Carlo methods). - Microscopic methods (Molecular dynamics, Monte-Carlo simulation for many-particle systems, basic idea of density functional theory). | ||||

Literature | - R. Lesar, Introduction to Computational Materials Science (Cambridge University Press 2013). - D. Frenkel and B. Smit, Understanding Molecular Simulations (Academic Press 2002). - M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Clarendon Press, 1987). - D. Raabe, Computational Materials Science (Wiley-VCH 1998). |