Grant no. EP/W026775/1, commenced in December 2021.
This proposal takes on the challenge of efficiently calculating the interacting particles on vast numbers of computer cores. The density of particles can be massively different at different locations, and it is imperative to find a way for the compute engines to have similar amounts of work – novel algorithms to distribute the work over different types of compute engines will be developed and used to develop and run frontier simulations of real-world challenges.
The investigators of this project are internationally leading experts in developing (enabling new science) and optimising (making simulations more efficient) state-of-the-art particle-based software for running simulations on supercomputers, based in the UK and abroad. Software that we have developed is used both in academia and in industry. In the project the investigators will develop solutions and implement these in their software and, importantly, train Research Software Engineers (RSEs) to become internationally leading in the art of exploiting exascale supercomputers for scientific research.