Postdoc in in High-Performance Computing.

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

Job description

We are seeking a Postdoc as an HPC software scientist at the scientific software unit at KTH Center for Scientific Computing (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 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.

About the employment

The position offered is for, at the most, two years.

It may be the case that a position at KTH is classified as a security-sensitive role in accordance with the Protective Security Act. If this applies, a security clearance will be conducted for the applicant with the applicant's consent. In such cases, a prerequisite for employment is that the applicant is approved following the security clearance.

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Join us at KTH

KTH shapes the future through education, research and innovation. As a leading international technical university, we play an active role in advancing the transition towards a sustainable society. At KTH, you have the opportunity to grow and develop in a creative and dynamic environment, with good working conditions and attractive benefits. Equality, diversity and equal opportunities are essential to quality and form an integral part of KTH’s core values as a university and public authority.

To apply for the position

Apply through KTH’s recruitment system. The description above outlines the responsibilities and qualifications for the role; please ensure your application is complete and relevant documents are provided.

About the experience

The position is intended as a time-limited qualified appointment focusing mainly on research, and serves as a first career step after a dissertation.