Postdoc in High-Performance Computing / GROMACS

We are seeking postdocs in the role of HPC software scientist at the scientific software unit at KTH Center for Scientific Computing (KCSC). The primary focus will be to pioneer innovative, technology-aware algorithmic techniques targeting three KTH flagship codes: GROMACS, Neko and Veloxchem. Our aim goes beyond raw performance tuning; we use a multi-disciplinary approach to redesign key algorithms for modern HPC architectures while establishing energy efficiency as a critical design metric.

Key research objectives include:

  • Mixed-precision algorithms: Designing and implementing mixed-precision formulations for key domain-specific kernels to leverage low-precision hardware without compromising simulation fidelity.
  • Data-centric optimization: Designing and implementing communication schemes and data access strategies targeting post-exascale systems, e.g., using GPU-centric communication techniques.
  • Collaboration & impact: We actively encourage you to publish your research in high-profile international venues, providing the opportunity to contribute directly to upstream flagship codebases and reach a global user base.

Announcement: KTH | Postdoc in in High-Performance Computing.

Application deadline: Aug 18, 2026

Contact information: pszilard@kth.se / njansson@kth.se