Principles and applications of statistical mechanics and equilibrium molecular dynamics, Monte Carlo simulation, Stochastic dynamics. Exercises using a MD simulation program to generate ensembles and subsequently calculate ensemble averages.
Learning objective
Introduction to statistical mechanics with the aid of computer simulation, development of skills to carry out statistical mechanical calculations using computers and interpret the results.
Content
Principles and applications of statistical mechanics and equilibrium molecular dynamics, Monte Carlo simulation, Stochastic dynamics. Exercises using a MD simulation program to generate ensembles and subsequently calculate ensemble averages.
Literature
will be announced in the lecture
Prerequisites / Notice
Since the exercises on the computer do convey and test essentially different skills as those being conveyed during the lectures and tested at the oral exam, the results of a small programming project will be presented in a 10-minutes talk by Pairs of students who had been working on the project.
Additional information will be provided in the first lecture.
Performance assessment
Performance assessment information (valid until the course unit is held again)
Performance assessment as a semester course
In examination block for
Bachelor's Degree Programme in Computational Science and Engineering 2016; Version 27.03.2018 (Examination Block G4) Bachelor's Degree Programme in Computational Science and Engineering 2018; Version 13.12.2022 (Examination Block G4) Bachelor's Programme in Computational Science and Engineering 2012; Version 13.12.2016 (Examination Block G4)
The performance assessment is offered every session. Repetition possible without re-enrolling for the course unit.
Mode of examination
written 60 minutes
Additional information on mode of examination
Examination language can be German or English.
Written aids
None
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
No public learning materials available.
Only public learning materials are listed.
Groups
No information on groups available.
Restrictions
There are no additional restrictions for the registration.
Performance assessment as a semester course