Since the end of 2016 the IMPRS RECHARGE students can use an own computer cluster that is attached to the existing high-performance computer at the MPI CEC. Such a computer cluster expedites the calculations of molecular structures so it helps the students to understand the molecular basis of chemical energy conversion processes. The processing capacity of a conventional computer is not sufficient for such complex calculations.
Dr. Frank Wennmohs, teamleader of the ORCA-group at the MPI CEC, explained that due to the implementation of theoretical techniques with high-performance computers chemical phenomena can be elucidated and even predicted. Thus theoretical methods build a bridge between theory and experiment of which research in general and especially the doctoral projects of our students can benefit.