Computerbasierte Materialphysik

What it is about

You learn modern theoretical methods of computer-based materials physics and how to apply them. The focus is on density functional theory and ab initio molecular dynamics for the microscopic description of physical and chemical properties of real materials. In the end you can assess the fundamentals, possibilities and limitations of these methods and independently perform and interpret simple calculations on material systems.

What you will be able to do

• Understand and describe the physical fundamentals of modern methods (e.g., DFT, MD)
• Demonstrate the possibilities and limitations of the treated methods
• Recognize connections between the methods
• Independently apply the treated methods to simple material systems and interpret the results

What the module consists of

• LectureExplanation of the methods, derivation of central results, presentation of literature and experimental examples to demonstrate possibilities and limitations
• TutorialDeepening theoretical derivations and practical learning of computer-based calculations for simple material systems; introduction to tools for execution and evaluation

Teaching method

• LectureSystematic presentation of the methods, derivations and discussion of examples; scientific discussion to foster analytical-physical thinking
• TutorialPractical execution and evaluation of computations on the computer as well as discussion of the results to enable independent application
• Computer Presentations / ExamplesVisualization of theoretical and experimental results to illustrate possibilities and limitations