Applied Quantum Chemistry

Education facts

Code: KEM321

<p>Computational methods have become a common tool for solving chemical problems. However, a computational-chemistry program package is no black box, equally little as e.g. an NMR spectrometer. Rather, they have to be used in an educated way to provide relevant results. The course treats, from a distinct user perspective, the calculation of molecular properties starting from the underlying quantum theory. It is described how quantum chemical calculations can be used to analyze and understand chemical reactions and to interpret experimental results as e.g. IR and Raman spectra. The focus is on the "working horse" of modern quantum chemistry, density-functional theory (DFT), its strengths and weaknesses. The lectures are complemented by extensive computer exercises.</p>

Entry requirements

90 credits within Science (or 120 credits within pharmacy/medicine). These courses should include KEM040 (physical chemistry 15 credits) or FYP203 (quantum physics 7,5 credits). Students with equal qualifications can be admitted. Mathematics 15 credits is strongly recommended.

Education offerings

Each offering has its own dates and conditions. Closed offerings are retained as history and do not mean that a new application is open.

• Applied Quantum Chemistry

  University of Gothenburg

  Start date: 5 November 2024

  End date: 18 December 2024

  Pace of study: 100 %