Electronic structure calculations on molecules of biological interest

Research in the van Mourik group focusses on electronic structure calculations on molecules of biological interest. Current research themes include:

- hydration of DNA bases. This project is related to the unravelling the mutagenic mechanism of 5-bromouridine
- structure of peptides
- solvation of zwitterionic molecules
- structure of nucleosides
- Car-Parinello simulations on hydrated biomolecules (in collaboration with Prof Marie-Pierre Gaigeot, Evry, France)
- Collisions of low-energy electrons with DNA fragments (in collaboration with Ptof Jonathan Tennyson, UCL)
- Potential energy surfaces and vibration-rotation studies of small isomerising molecules (in collaboration with Dr Mark Law, Aberdeen)

Please contact Dr Tanja van Mourik if you would like to discuss possible PhD projects.

Potential applicants are welcome to arrange to visit St Andrews at any time, although there will be a chemistry postgraduate open day in St Andrews on the afternoon of Friday the 31st of January 2013.
Please see:http://ch-www.st-andrews.ac.uk/PGadmissions.html for the application procedure or e-mail [Email Address Removed] for more information.