Launch of the Simulation Laboratory Quantum Materials

On 4 April 2017, the opening workshop for the new Simulation Laboratory Quantum Materials (SLQM) took place at JSC. The workshop featured a number of scientific talks given by leading experts from Forschungszentrum Jülich, RWTH Aachen University, and the University of Liège. Each talk dealt with diverse and emerging topics in the field of computational materials science, including correlated electron materials, topological magnetism, energy materials, and high-performance computing, to name but a few. The modern and interdisciplinary nature of the topics attracted a very lively audience of about 50 scientists from all over Germany. Each talk was followed by constructive discussions, which often spilled over into the break between sessions.

Thanks to its specific focus on high-performance computing within the context of quantum-based simulations beyond equilibrium, the SLQM workshop sparked interest in scientific communities recently introduced to computational science as well as established groups delving into new and challenging areas. Such interest is critical to the mission of the new SimLab, which intends to act as a high-level support structure for dedicated projects and to host research projects dealing with fundamental aspects of code development, algorithmic optimization, and performance portability. Current SLQM research activities are already focused on a large variety of topics, including the development of specialized eigensolvers, efficient preconditioners for density functional theory (DFT), massively parallel simulations of heterogeneous photovoltaic materials, and investigating material properties using machine learning methods. Further information can be found at http://www.fz-juelich.de/ias/jsc/slqm.
(Contact: Dr. Edoardo Di Napoli, e.di.napoli@fz-juelich.de)

JSC News No. 249, April 2017