We are seeking an RSE to work at KTH in Stockholm to evolve a library for particle simulations based on the existing capabilities of the GROMACS molecular dynamics simulation software.

We are already actively working on a funded project to develop a library of highly performant nonbonded interactions, as well as a parallelization framework, based on GROMACS, that can be used by other particle-based applications. The project is part of the EU-funded PRACE project and will be executed in collaboration with the KTH-based core GROMACS team, the Center for Parallel Computers in Stockholm (PDC, https://www.pdc.kth.se/), and the Swiss National Computing Center (https://www.cscs.ch/).

The intended work includes abstracting suitable parts from GROMACS into a cutting-edge C++ and Python library with a stable long-term API, which will be used to improve the performance and scalability of future particle-based codes on cutting edge exascale hardware (including accelerators). You will be working in the core GROMACS team at KTH (but also liaise with PDC), so there is a large academic and infrastructure environment for support, and the job comes with great freedom to travel and steer the research direction, e.g. by collaborating with other international centers.

Drop me, Erik Lindahl, Berk Hess, or Erwin Laure (see ad) a line if you want more information – and if this sounds interesting we would be delighted if you want to apply!


RSE- KTH in Stockholm, Sweden


RSE Network Coordinator, RSE Confererence Logistics co-Chair, Sponsorship Chair, based at the University of Southampton.

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