Course MV-TD-86057-K-7
Computerlab Molecular Simulation (2V, 3.0 LP)
Course Type
| SWS | Type | Course Form | CP (Effort) | Presence-Time / Self-Study | |
|---|---|---|---|---|---|
| 2 | V | Lecture with integrated exercises | 3.0 CP | 28 h | 62 h |
| (2V) | 3.0 CP | 28 h | 62 h | ||
Basedata
Contents
- Molecular simulation techniques (Monte Carlo and molecular dynamics)
- Interpretation of simulation results
- Applications in thermodynamics
Competencies / intended learning achievements
1. Lecture:
Students will be able to
- characterize the reliability and scope of molecular modeling and simulation methods.
2. Exercise (computer laboratory):
Students will be able to
- implement molecular simulation methods as computer programs to calculate thermodynamic properties of low molecular weight fluids
- test and correct the implemented code
- identify and solve group dynamic problems in programming, simulation and analysis of simulation results in small groups
Literature
Will be announced during the course.
Materials
Slides, short exercise sheets, code examples. For further information and course materials please consider the corresponding OLAT-course.
Requirements for attendance (informal)
Programming experience with C, C++, Fortran or a comparable language
Modules:
Requirements for attendance (formal)
None
References to Course [MV-TD-86057-K-7]
| Module | Name | Context | |
|---|---|---|---|
| [MV-TD-224-M-7] | Computerlab Molecular Simulation | P: Obligatory | 2V, 3.0 LP |
| [PHY-SP-5-M-7] | Schwerpunktmodul Thermodynamik | WP: Obligation to choose | 2V, 3.0 LP |
Notes on the module handbook of the department Mechanical and Process Engineering
Ausnahmen: