StructureResearch AreasComputational Chemistry

Computational Chemistry

Computational Chemistry uses quantum chemistry and molecular simulation to forecast the structure, reactivity, and properties of organic and bioorganic molecules.

The teams of Prof. P. Hobza as a Distinguished Chair and Dr. Z. Havlas as a Honorary Chair were estabilished at the special position in the IOCB structure, but their research subject is also a part of the Computational Chemistry area...



Research Teams in Area of Computational Chemistry