Computational Lab Advanced Quantum Chemistry

Course content

Intended learning outcomes:

The students have aquired knowledge on modern methods of quantum chemistry. They are familiar with the foundations of important methods and possess an overview of commonly used quantum-chemical methods, their implementation in scientific software, and their use in chemistry. They are able to judge the applicability and the limits of different quantum-chemical methods and to use choose suitable methods for their own research projects, to perform quantum-chemical calculations and to analyse, evaluate, and assess their results.

Course content: 

Lecture and Computer Lab Advanced Quantum Mechanics: Mathematical foundations of quantum chemistry, Hartree-Fock-Theory, perturbation theory and configuration interaction, coupled cluster theory, density-functional theory.

Course information

Code 1413108
Degree programme(s) Chemical Biology, Biochemistry/Chemical Biology, Chemistry, Data Science
Lecturer(s) Prof. Dr. Christoph Jacob
Type of course Exercise course
Semester Winter semester
Language of instruction English if requested
Level of study Master
ECTS credits please refer to the module handbook (https://www.tu-braunschweig.de/flw/studierende/biochemiechembiologie/modulhandbuecher)
Contact person Dr. Linda Teevs, Ilka Schmanteck (studiendekanatchemie@tu-braunschweig.de)