Research activities

Fields of research interests are in the areas of Quantum Chemistry, Cluster Physics & Chemistry and Computational Materials Research.

• Quantum Chemistry
• Cluster Physics & Chemistry
• Computational Material Research
• Development & Application of Density-functional based methods
• Materials Research
• Density-Functional-Theory based methods for calculations of geometric structure, electronic structure and dynamics of molecules, Clusters and condensed systems
• Quantum Molecular Dynamics (QMD) for studies of dynamical processes
• Current Density Functional Theory (CDFT) for calculations of NMR parameters, as chemical shifts
• new clusters as building blocks of cluster assembled matter
• Nanostructures materials, as for example nanotubes
• Biomolecules concerning possibilities of a biological modification of biological materials
• searches for new materials with exceptional properties, as for example super hard materials, materials for Lithium ion batteries, ...