Group Leader: Konstantin Neyman

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Konstantin Neyman

 

My research group deals with modelling of advanced, in particular, nanostructured materials important for catalysis, hydrogen technology, energy storage and related applications. A general aim is to understand at the atomic level, by carrying out large-scale quantum mechanical computer calculations, how the structure and composition of a material are related with its function in a given chemical process. It is often almost impossible to obtain this information experimentally, but its absence drastically hinders creation of materials with desired properties.

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