Homepage of Thomas Heine
In the Theoretical Physics/Computational Materials Science group of Prof. Dr. Thomas Heine we use computer simulations to develop and to study nanomaterials with high potential for application in nanoelectronics and in environmental sciences. Ongoing projects include topics as diverse as photocatalytic water splitting on nanoparticles, metal-organic frameworks and other framework compounds with the capacity of application in fuel cells (proton exchange membranes), in biofuel production (molecular sieving) and quantum sieving, and the electronic and electromechanic properties of two-dimensional inorganic nanoparticles. The group currently develops new methods for large-scale Car-Parrinello and Born-Oppenheimer molecular dynamics simulations, and new concepts for computational combinatorial chemistry.
3C Virtual Lego on the Nanoscale - Jacobs Magazine 2012
Recent Research Highlights