Bachelor and Master Projects (Hopmann)

Are you interested in catalysis and computational chemistry?

Possible bachelor and master projects focus on theoretical studies of metal-catalyzed and enzymatic reaction mechanisms.

Transition Metal-Catalyzed Reactions
Quantum mechanical studies of reactions involving different metal catalysts.
Project work focuses on:
- how to study chemical reactions using quantum chemical models
- how to model the effect of the surroundings (e.g. solvent)
- structural and isomerization studies of novel metal catalysts
- QM studies of novel reaction pathways

Mechanistic Studies of Enzymatic Reactions
Quantum chemical studies of enzymatic reactions, also involving enzyme mutants.
Project work focuses on:
- how to make quantum mechanical models of enzymatic active sites
- how to study reaction mechanisms computationally employing DFT methods
- how to model enzymatic mutants computationally (in silico mutations)
- QM studies of novel enzymatic mutans

Also JOINT Master Projects are available, for example:

- Organic Synthesis/Computational Chemistry:
Experimental and Theoretical Studies of Iridium Catalysts (with A.Bayer as co-supervisor)

For more information contact:

Published Feb. 9, 2014 11:20 AM - Last modified Apr. 22, 2014 11:22 PM