UCL Centre for Computational Science research featured in InSiDE Spring 2017 Edition

13 June 2017

Twice per year, the Gauss Centre for Supercomputing publishes the journal InSiDE. It reports on applications, systems and performance, news and courses of the three member centres (HLRS, LRZ, JSC). The Spring 2017 Edition is out now:

Articles of particular interest include:

1) GCS: Delivering 10 Years of Integrated HPC Excellence for Germany

Featuring our giant workflow project on SuperMUC, led by Professor Peter Coveney. The project ran simulations on the system for 37 hours straight, using nearly all of SuperMUC’s 250,000 compute cores.

2) “Rapid and Accurate Calculation of Ligand-Protein Binding Free Energies” by Peter Coveney and Shunzou Wan

This article concerns the work of Peter Coveney’s group in the development of an automatic workflow that ensures drug binding affinity results are both accurate and reproducible, and can be delivered rapidly.

InSIDE Spring 2017 Edition…

You can read the full issue here: http://inside.hlrs.de/assets/pdfs/inside_spring17.pdf