The scanning tunneling microscope has been an extremely successful experimental tool because of its atomic scale spatial resolution. In recent years this has been combined with high energy resolution by the use of low temperatures, culminating in microvolt energy resolution. However the time resolution of typical STM experiments is limited to a few seconds for entire images and about one millisecond for spectroscopy on a single atom.

Quantum chemical calculations are an established tool in BASF's research today. The computational methods support the chemists in elucidating reaction mechanisms, in choosing good solvents or in optimizing catalysts. Materials with new properties can be pre-selected on the computer, before time-consuming and expensive synthesis is started. In my talk this will be exemplified with two example applications out of BASF research.