Research

Matthias

In my group, we are interested in developing chemical theories and methods for rationally designing molecules, nano-structures and materials as well as chemical processes toward these compounds, based on quantum mechanics and computer simulations. An essential part of these efforts is the application of our theories and models in cooperation with experimental groups. My scientific activities comprize four main directions of research that are intimately connected and reinforce each other: 1) Structure and Chemical Bonding in Kohn-Sham Density Functional Theory (DFT), 2) Molecular Recognition and Theoretical Biochemistry, 3) Elementary Chemical Reactions [see: Activation Strain modelPyfrag], and 4) Fragment-oriented Design of Catalysts. 

Excellent international students may qualify for joining the group through the VU Fellowship Program.

For a publication analysis, go to my ResearcherID published by Thomson Reuters and click on Citation Metrics. For selected publications, click here, or visit the cover gallery.

See also the following sections about research in my group:


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