"We are perhaps not far removed from the time when we shall be able to submit the bulk of chemical phenomena to calculation."

Joseph Louis Gay-Lussac. Memoires de la Societe D'Arcueil, 1808, 2, 207.



In computational chemistry, computers are used to model and predict the properties and reactions of chemical systems. Such approaches have great versatility, and are widely applied to a broad range of areas including gas-phase ion chemistry, inorganic compounds and catalysts, and enzyme properties.

The major focus of our research group is the study of the properties and chemistry of various biomolecules and related species, in particular, those of interest in biochemical catalysis.


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