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Bachelor-Master and PhD projects

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.


Niels Engholm Henriksen
Associate Professor
DTU Chemistry
+45 45 25 15 95