The conference “Catalysis for Sustainable Chemical Energy Conversion (CSCEC)” is the first of planned annual conferences organized by the students of the IMPRS-RECHARGE, based at the MPI CEC in Mülheim an der Ruhr. The conference is addressed to graduate students, post-doctoral scientists, and senior-researchers with experimental (synthetic/spectroscopic) and/or theoretical background, who are interested in:
More information on the conference-website.
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 for Chemical Energy Conversion. 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.
Gehrke, S., Schmitz, K., Hollóczki, O. Is carbene formation necessary for dissolving cellulose in ionic liquids? J. Phys. Chem. B. 2017, 121, 4521-4529, DOI: 10.1021/acs.jpcb.7b00631.
Elfgen, R., Holloczki, O., Ray, P., Groh, M. F., Ruck, M., Kirchner, B., Theoretical investigation of the Te4Br2 molecule in ionic liquids. Z. Anorg. Allg. Chem., 2017, 643, 41-52, DOI: 10.1002/zaac.201600342
Gehrke S., Hollóczki O., A molecular mechanical model for N-heterocyclic carbenes. Phys. Chem. Chem. Phys. 2016, 18, 22070 – 22080, DOI: 10.1039/C6CP02624A
Catalysis for Sustainable Chemical Energy Conversion (CSCEC)
September 17th - 21th, 2017
NETZ, University of Duisburg-Essen, Germany
Electronic Structure and Spectroscopy of Transition Metal Complexes
September 3rd - 9th, 2017
Wissenschaftspark Gelsenkirchen, Germany