Our research focuses on the theoretical/computational study of chemical reactions.
The systems studied vary from small fundamental gasphase reactions via gassurface
reactions to reactions involving proteins and peptides. The results of these calculations
are used together with the results of sophisticated experiments to obtain insight into the
fundamentals of the reactions involved and to get a fundamental understanding of reaction dynamics.
The calculations performed are all very timeconsuming and resourceintensive and require large
supercomputers to run. Therefore, we are also involved in the development of new algorithms, in
particular to allow for the efficient use of parallel computers and clusters of workstations.
The research can be divided up in four distinct areas
Last Update: Sat Apr 9 20:29:58 BST 2005
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