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Computer Simulation in Chemistry, Biology and Physics
Last Updated: 2026-02-05 15:24:51
Abstract
Molecular models, Force fields, Spatial boundary conditions, Calculation of Coulomb forces, Molecular dynamics, Analysis of trajectories, Quantum-mechanical simulation, Structure refinement, Application to real systems. Exercises: Analysis of papers on computer simulation, Molecular simulation in practice, Validation of molecular dynamics simulation
Objective
Introduction to computer simulation of (bio)molecular systems, development of skills to carry out computer simulations of biomolecular systems
Content
Molecular models, Force fields, Spatial boundary conditions, Calculation of Coulomb forces, Molecular dynamics, Analysis of trajectories, Quantum-mechanical simulation, Structure refinement, Application to real systems. Exercises: Analysis of papers on computer simulation, Molecular simulation in practice, Validation of molecular dynamics simulation
Resources
Lecture Notes
available
Literature
see "Course Schedule"
General Information
- Language
- English
- Levels
- DS , BSC , MSC , NDS
- Frequency
- Yearly recurring
Examination
- Type
- session examination
- Mode
- oral 30 minutes
Course Components
| Type | Title | Time & Place | Hours |
|---|---|---|---|
| lecture with exercise | Computer Simulation in Chemistry, Biology and Physics |
|
3 h weekly |