EN Computational Carbon Chemistry CCC Group About News People Publications Events Jobs Useful Links Teaching Alumni Computational Carbon Chemistry (CCC) The Computational Carbon Chemistry (CCC) group uses state-of-the-art computational chemistry to explore and exploit diverse functional organic materials. Among these, graphene-based materials are of particular interest due to a number of advantages they offer over conventional inorganic counterparts: natural biocompatibility, infinite structural variability, mechanical flexibility, unique electronic and optical properties, relative ease of fabrication and functionalisation, and inherent molecular nature. In CCC, we are developing an in silico framework of tools and concepts for designing and screening new graphene-based functional materials and devices with target applications in metal-free catalysis and molecular electronics. Specific research projects in the group include studying the mechanisms of carbocatalytic degradation of environmental pollutants, developing the concept of catalysis inside molecular junctions, designing molecular sensors for environmental pollutants, and designing spin-polarised molecular junctions with graphene electrodes. Follow us on Twitter. HITS gGmbH Heidelberg Institute for Theoretical Studies Schloss-Wolfsbrunnenweg 35 69118 Heidelberg Germany Mail: info@h-its.org Phone: +49 6221 533 533 Fax: +49 6221 533 298 © 2021 HITS gGmbH Privacy Imprint Contact Research at HITS News The Institute Join HITS Individuelle Datenschutzeinstellungen Cookie-Details Datenschutzerklärung

EN IT Services In July 2013, the IT Services (ITS) group was established and is since then responsible for all IT-related issues. It strives to provide a coherent set of IT services centered on the needs of the other groups at HITS. The main focus is the management of the HITS computer center and network, plus administration and maintenance of all HITS computer systems. Another important aspect is user support and education, ranging from solving day-to-day computer-related problems to organizing internal workshops on the efficient usage of the HPC cluster or introducing new technologies. Dr. Bogdan Costescu Group Leader Phone: +49 6221 – 533 – 255 More Information Andreas Ulrich System Administrator Phone: +49 6221 – 533 – 268 More Information Dr. Bernd Doser Senior Software Developer Phone: +49 6221 – 533 – 237 More Information Julian Edvard Aris Student Worker More Information Nobert Rabes System Administrator Phone: +49 6221 – 533 – 265 More Information Simon Kreuzer HPC System Administrator Phone: +49 (0)6221 – 533 – 211 More Information Taufan Zimmer HPC System Administrator Phone: +49 6221 – 533 – 230 More Information HITS gGmbH Heidelberg Institute for Theoretical Studies Schloss-Wolfsbrunnenweg 35 69118 Heidelberg Germany Mail: info@h-its.org Phone: +49 6221 533 533 Fax: +49 6221 533 298 © 2021 HITS gGmbH Privacy Imprint Contact Research at HITS News The Institute Join HITS Individuelle Datenschutzeinstellungen Cookie-Details Datenschutzerklärung