Projects:
- Microscopic basis for chemical kinetics, i.e. molecular reaction dynamics
- Femtosecond dynamics of molecules and chemical reactions
- Predict and control dynamics of molecules and reactions
- Interaction between light and molecules
- Photochemistry and laser light
- Time-resolved X-ray scattering
Methods/tools:
- The laws of quantum mechanics
- Applied mathematics
- Computer programs, programming
You are welcome to come and discuss the various possibilities for specific projects – depending on your background (examples of previous projects are shown below)
Bachelor and Master projects:
The titles of some recent projects are given below:
Computational studies of the reactivity of various sites in a deNOx catalyst
A quantum chemical study of enantiomers and their interconversion
Numerical solution of the time-dependent Schrödinger equation
Analytical results in molecular quantum dynamics
A computer simulation of a pump-probe experiment on the femtosecond timescale
Application of theoretical models for solvent effects on chemical reactions
A mathematical analysis of the reaction kinetics of oscillatory chemical reactions
Quantum mechanical tunnel effect in chemical reactions described by semi-classical methods
A theoretical study of intense non-resonant laser molecule interactions for control of H + OD <- HOD -> D + OH
A theoretical study of laser pulse shaping with application to control of molecular quantum dynamics
Theoretical calculation of rate constants using the POLYRATE program