327-0508-00L  Simulation Techniques in Materials Science

SemesterAutumn Semester 2018
LecturersC. Ederer
Periodicityyearly recurring course
Language of instructionGerman


327-0508-00 VSimulationstechniken in der Materialwissenschaft2 hrs
Mon12:45-14:30HCI D 8 »
C. Ederer
327-0508-00 USimulationstechniken in der Materialwissenschaft2 hrs
Mon14:45-16:30HCI D 451 »
C. Ederer

Catalogue data

AbstractIntroduction 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).
ObjectiveLearn 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).

Performance assessment

Performance assessment information (valid until the course unit is held again)
Performance assessment as a semester course
In examination block forBachelor's Degree Programme in Materials Science 2017; Version 28.01.2020 (Examination Block 5)
Bachelor's Programme in Materials Science 2012; Version 01.08.2016 (Examination Block 5)
Bachelor's Programme in Materials Science 2015; Version 22.08.2017 (Examination Block 5)
ECTS credits4 credits
ExaminersC. Ederer
Typesession examination
Language of examinationGerman
RepetitionThe performance assessment is offered every session. Repetition possible without re-enrolling for the course unit.
Mode of examinationwritten 150 minutes
Written aidskeine
Online examinationThe examination may take place on the computer.
If the course unit is part of an examination block, the credits are allocated for the successful completion of the whole block.
This information can be updated until the beginning of the semester; information on the examination timetable is binding.

Learning materials

Main linkZugehöriger Moodle-Kurs (Einschreibe-Passwort wird in der 1. Vorlesung bekannt gegeben)
Only public learning materials are listed.


No information on groups available.


There are no additional restrictions for the registration.

Offered in

Chemical and Bioengineering MasterModeling and SimulationsWInformation
Materials Science BachelorExamination Block 5OInformation