Theoretical and computational chemistry - method development and applications

Our institute covers a broad spectrum of research topics in theoretical and computational chemistry. Based on historic achievements in the area of wavefunction-based quantum chemistry and the development of pseudopotentials, we study chemical and physical phaenomena and develop new tools to improve the predictive power of our investigations.

In joint projects with our experimental partners from the faculties of chemistry, physics, engineering, and computer science we provide insight that can not be obtained by experiment alone. Our projects are supported by national and international funding organizations.

For details on the different fields of research we refer to the respective group websites below.