Postdoc: Energy-Efficient HPC Algorithms for MD/CFD

Karlstad University; Stockholms kommun; On-site; SEK 420,000 - 540,000; Full time

Job summary

KTH Center for Scientific Computing invites a Postdoc to pioneer technology-aware algorithms for flagship HPC codes, focusing on mixed-precision and data-centric optimization. You will collaborate across a project team to generate real-world impact in molecular dynamics, CFD, and quantum chemistry.

The position emphasizes energy-efficient design, dissemination in high-profile venues, and contributions to open-source codebases, with strong emphasis on collaboration and innovation.

Qualifications

• PhD or equivalent degree obtained within the last three years.
• Experience in performance modeling and optimization for heterogeneous architectures.
• Experience with molecular dynamics, CFD, or quantum chemistry.
• Experience with large-scale scientific software projects and collaboration.

Responsibilities

• Pioneer algorithmic techniques for flagship HPC codes (GROMACS, Neko, VeloxChem).
• Collaborate with the project team and publish research in international venues.
• Redesign key algorithms for modern HPC architectures with energy efficiency as a metric.
• Contribute to upstream codebases and engage with the user community.

Skills

Performance modelling

HPC software development

Molecular dynamics

Data-centric optimization

Collaboration

Education

Doctoral degree

Tools

GROMACS

Neko

VeloxChem

Job description

KTH Center for Scientific Computing invites a Postdoc to pioneer technology-aware algorithms for flagship HPC codes, focusing on mixed-precision and data-centric optimization. You will collaborate across a project team to generate real-world impact in molecular dynamics, CFD, and quantum chemistry.

The position emphasizes energy-efficient design, dissemination in high-profile venues, and contributions to open-source codebases, with strong emphasis on collaboration and innovation.