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2017-09-29

1st IMPRS-RECHARGE SCIENTIFIC SYMPOSIUM 2017

Students of the International Max Planck Research School on Reactive Structure Analysis for Chemical Reactions organized their first conference

Catalysis for Sustainable Chemical Energy Conversion (CSCEC)
September 17th - 21st, 2017

About 100 international scientists from various fields of catalysis research participated in the IMPRS-RECHARGE Scientific Symposium at the NanoEnergieTechnikZentrum (NETZ). The five-day event took place at the campus of the University of Duisburg-Essen from September 17-19, 2017.

The conference titled "Catalysis for Sustainable Chemical Energy Conversion (CSCEC2017)" focused on current developments in catalytic processes for sustainable energy conversion with the aim of a climate relevant decrease of CO2 emissions.
The keynote lectures concentrated on general concepts of catalysis for sustainable energy conversion, such as the electro-catalytic water splitting for the production of the climate neutral energy carrier hydrogen as well as the syngas conversion for the synthesis of high-energy fuels from CO2. Additionally, the conference offered the opportunity to discuss several presentations and poster contributions from the registered participants.

The numerous registrations and the broad thematic range of the conference contributions made the symposium a truly successful event. It was organized by the students of the IMPRS-RECHARGE and will be held regularly. Further information on the conference can be found on the CSCEC website.

2017-02-10

High-performance computer for IMPRS students

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.

Publications

Gehrke, S., M. von Domaros, R. Clark, O. Hollóczki, M. Brehm, T. Welton, A. Luzar, and B. Kirchner. (2017) Structure and lifetimes in ionic liquids and their mixtures, Faraday Discussions, doi: 10.1039/C7FD00166E

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

events

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

contact

International
Max Planck Research School
RECHARGE

E-Mail: imprs(at)cec.mpg.de
Internet: imprs.cec.mpg.de

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