Molekulardynamik-Simulationen

What it is about

You will learn how molecular simulations are constructed, performed, and analyzed. After the module you will be able to plan, carry out independently, and evaluate thermodynamic as well as kinetic quantities from simulations using methods such as molecular dynamics, Monte Carlo, and Brownian dynamics.

What you will be able to do

• Preparation, execution, and evaluation of molecular simulations
• Independent execution of molecular dynamics, Monte Carlo, and Brownian dynamics simulations
• Extraction of thermodynamic and kinetic quantities from simulations
• Deepened understanding of the dynamics of multi-particle systems
• Development of research questions for simulation studies
• Selection of appropriate molecular simulation methods for given tasks

What the module consists of

• LectureConveying the theoretical foundations and experimental implementation with examples; promotion of interactive discussion
• TutorialStep-by-step handling of simulation programs and practical mastering of analysis methods

Teaching method

• Lecture (board/presentation)Explanation of theoretical foundations, examples, and stimulation of discussions
• Computing practicePractical learning of simulation programs and state-of-the-art analyses
• Course materials with hyperlinksSupports entry into independent literature research