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Density-Functional Theory and Beyond: High-Throughput Screening and Big-Data Analytics Towards Exascale Computational Materials Science

The Faculty of Chemistry holds, from August 26 to September 6 the eighth edition of a tutorial workshop on density-functional theory (DFT), others quantum mechanical modelling methods and Big-data analytics in Materials Science, which features lectures that introduce basics and advanced topics and hands-on sessions guided by skilled tutors (https://th.fhi-berlin.mpg.de/meetings/dft-workshop-2019/index.php?n=Meeting.Home).
The Institute of Theoretical and Computational Chemistry (www.iqtc.ub.edu) and the Theory Department of the Fritz Haber Institute (https://th.fhi-berlin.mpg.de/site/) organize the summer school, this year focused on the discovery of novel materials, an important objective key on the route to face global challenges like quest for efficient and sustainable use of energy resources. Computational modelling plays a central role here as it allows us to explore uncharted territory in chemical and materials space, for example in order to develop novel batteries, highly efficient solar cells, stable biocatalysts, or carbon dioxide fixation strategies.

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