What it is about
You will learn modern theoretical and computer-based methods for calculating material properties from atomic structure. The module covers the fundamentals and applications of density functional theory, ab-initio molecular dynamics, transport theories and machine-learning methods, so that you can assess their possibilities and limitations and perform simple calculations independently.
What you will be able to do
- Understand and describe the physical foundations of modern methods such as density functional theory and molecular dynamics
- Recognize and explain the possibilities and limitations of the methods discussed
- Apply methods to simple material systems and interpret the results
What the module consists of
- VorlesungExplanation of the methods and derivation of important results; examples from theory and experiment to demonstrate possibilities and limitations
- ÜbungDeepening of the theoretical derivations and practical learning of computer-based calculations on simple material systems
- offenes TutoriumDiscussion opportunity for open questions to achieve the learning goals
Teaching method
- Vorlesungto systematically convey the theoretical foundations and derivations
- Übungfor practical learning of calculation tools and for deepening the theory
- Diskussionen/Wissenschaftlicher Austauschto promote analytical-physical thinking
- e-Learning / Aufzeichnungento provide lecture materials and notes for post-processing