Postdoc in High-Performance Computing

KTH Royal Institute of Technology; Stockholms kommun; On-site; SEK 420,000 - 520,000; Full time

Job summary

KTH Royal Institute of Technology invites applications for a postdoctoral fellow in High-Performance Computing within the scientific software unit at KCSC. The role focuses on pioneering technology-aware algorithms for flagship HPC codes, with emphasis on energy efficiency and modern architectures.

The position supports collaboration across Sweden’s research ecosystem and upstream codebases. Ideal candidates have a doctoral degree within the last three years, experience with heterogeneous

Qualifications

• PhD or equivalent degree obtained within the last three years before the application deadline.
• Experience with performance modeling and optimization for heterogeneous architectures.
• Experience developing code for molecular dynamics, CFD, or quantum chemistry.
• Experience working on large-scale scientific software projects and collaboration.
• Awareness of diversity and equal opportunity issues with focus on gender equality.

Responsibilities

• Pioneer algorithmic techniques for HPC codes (GROMACS, Neko, VeloxChem).
• Design and implement mixed-precision formulations for key kernels.
• Develop data-centric optimization and GPU-centric communication strategies.
• Publish research findings in high-profile international venues and contribute to flagship codebases.

Skills

Performance modeling

Heterogeneous architectures

Large-scale scientific software

Collaboration

Education

Doctoral degree

Tools

GROMACS

Neko

VeloxChem

Job description

Postdoc in High-Performance Computing

KTH Royal Institute of Technology, School of Electrical Engineering and Computer Science

Are you a highly motivated researcher with a passion for HPC and a drive to solve complex scientific challenges? Do you thrive in an R&D environment where your ideas and the software you write directly impact cutting-edge research?

We are seeking postdocs as an HPC software scientist at the scientific software unit at KCSC. The position is funded by SSF within the SEESSI initiative, which aims to ready Sweden’s flagship codes in molecular dynamics, computational fluid dynamics, and quantum chemistry for next-generation hardware.

You will join a project team of HPC software scientists at KCSC collaborating closely with and driving real‑world impact across three of Sweden’s flagship HPC codes: GROMACS, Neko, and VeloxChem.

As a postdoctoral researcher, your primary focus will be to pioneer innovative, technology‑aware algorithmic techniques targeting these codes. 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.

Preferred qualifications

• A doctoral degree or an equivalent foreign degree, obtained within the last three years prior to the application deadline.
• Familiarity with performance modeling, analysis and optimization for heterogeneous architectures.
• Experience with developing code for: molecular dynamics, computational fluid dynamics, or quantum chemistry.
• Experience working with large-scale scientific software projects and collaboration.
• Awareness of diversity and equal opportunity issues, with a focus on gender equality.

Great emphasis will be placed on personal skills.

Job‑Related Information

Employment is for at most two years.

If the position is classified as security-sensitive, a clearance will be conducted. Approval is required for employment.

Equality, diversity and equal opportunities are essential to quality and form an integral part of KTH’s core values.

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