School on numerical analysis and algorithms at the exascale: Classical N-body methods for complex systems on massively parallelarchitectures

Within the framework of the European Joint Doctorate Program HPC-LEAP, IAS-5/INM-9 organizes the "School on numerical analysis and algorithms at the exascale: Classical N-body methods for complex systems on massively parallel architectures" which will be held at Jülich from April 5 to 22, 2016.

This school will provide an introduction to N-body methods such as molecular dynamics and Monte Carlo and will discuss different parallelisation strategies suited to these approaches. The lectures will focus on methods appropriate for both short- and long-range interactions and conclude with a review of spectral methods. Students will be required to implement a simple molecular dynamics code and test different parallelisation algorithms as well as analysis tools to understand the output of their simulations. The course will conclude with a discussion of hybrid methodologies applied to biological systems of pharmacological relevance.