Research Interests


The research of the group is focussed on theoretical investigations of macromolecular systems and assemblies and the development of algorithms to understand their interactions and physico-chemical properties. A primary interest is to accurately describe intermolecular interactions and to use them to follow reactive processes in space and time. Potential energy surfaces developed for such purposes can also be used to investigate molecular clusters. Areas of particular interest include:


Reactive Processes in Biologically Relevant Systems

Ligand Binding Interactions

Accurate Description of Intermolecular Interactions

Dynamics of Molecular Clusters