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 time scale
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
Rotational and Vibrational Coupling in Molecules
The tunnel effect and chemical reactions
Theoretical description of chemical bonding (evaluation of the independent atom model used in X-ray diffraction)
Theoretical calculation of rate constants using the POLYRATE program
You are welcome to come and discuss the various possibilities – depending on your background.
PhD projects
PhD projects are associated with current research programs – see Research.
You are welcome to contact me and discuss the various possibilities.