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1st Workshop JARA-HPC Simulation Laboratory "ab initio Methods in Chemistry and Physics"

08.11.2013 08:45 Uhr
08.11.2013 17:00 Uhr
Jülich Supercomputing Centre, Rotunda, Geb.16.4, R. 301, Forschungszentrum Jülich
Dr. D. Wortmann (PGI-1/IAS-1), S. Maintz (RWTH-Chemistry), Prof. Dr. R. Mazzarello (RWTH-Physics), Dr. P. Baumeister (JSC), Prof. P. Bientinesi, PhD (RWTH-AICES), Dr.-Ing. B. Mohr (JSC), Prof. A. L. Tchougréeff, PhD  (RWTH-Chemistry), Dr. T. Müller (JSC), E. Rabel (PGI-1/IAS-1)

The workshop constitutes the opening event introducing the Simulation Laboratory “ab initio Methods In Chemistry and Physics” (SLAI) to the scientific community. SLAI will provide expertise in the field of ab initio simulations for physics, chemistry, nano-science and materials science with a special focus on high-performance computing on the Jülich supercomputer facilities. It will act as a high-level support structure in dedicated projects and host research projects dealing with fundamental aspects of code development, optimization and performance improvement.

This event aims at bringing together scientists, from the main institutes within JARA, participating in the Simulation Laboratory. By sharing their work and scientific expertise the participants will define a platform allowing the mutual collaboration and prioritization of the Lab's activities. Short informal talks will be given by speakers from each of the main participating partners institutes and cross-sectional groups. Refreshments allowing free interactions between the participants will be provided during the scientific program. A wrap-up session summarizing the conclusion of the meeting will close the workshop.

Freitag, 8. November 2013, 8.45 – 17.00 Uhr
Rotunde, Jülich Supercomputing Centre, Forschungszentrum Jülich, Geb. 16.4, R. 301
 Agenda of the 1st Workshop JARA-HPC Simulation Laboratory "ab initio Methods in Chemistry and Physics" (PDF, 268 kB)
Participants are encouraged to freely register by sending an email to

Scientists from RWTH and FZJ institutes involved in ab initio computations are encouraged to take part in the workshop so as to favor exchange of scientific expertise conducive to future collaborations.