Methoden der molekularen Simulation, Klausur

What it is about

You will learn fundamental methods of molecular simulation and apply them practically. In the end you will be able to qualitatively describe various algorithms (e.g., geometry optimization, molecular dynamics, Monte Carlo, free energy methods, kinetic Monte Carlo), assess their application areas, and carry out simple simulations yourself.

What you will be able to do

• List methods and algorithms of molecular simulation
• Qualitatively describe the concepts of the methods
• Know application areas and contributions to the chemical question
• Classify applicability and limitations of different techniques
• Apply learned methods to perform simple simulations

What the module consists of

• VorlesungDelivery of the thematic content in a frontal lecture
• ÜbungenDeepening through guided practical tasks and self-study

Teaching method

• Frontalvortragfor the introduction and systematization of conceptual knowledge
• Angeleitetes Selbststudiumto deepen understanding between the sessions
• Praktische Übungsaufgabento train practical skills, enable self-assessment and provide feedback