Postdoc in in High-Performance Computing.

Kungliga Tekniska högskolan; Stockholms kommun; On-site; SEK 420,000 - 540,000; Full time

Job summary

KTH Royal Institute of Technology in Stockholm invites applications for a postdoctoral researcher role focused on high-performance computing. You will work within the HPC software science unit at KCSC to advance algorithms for GROMACS, Neko, and VeloxChem, emphasizing energy-aware design and cross-code collaboration.

The position targets innovative algorithmic advances, with opportunities to publish in top venues and impact flagship codes relevant to molecular dynamics, CFD, and quantum

Qualifications

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

Responsibilities

• Pioneer innovative, technology-aware algorithmic techniques targeting flagship codes in HPC.
• Design mixed-precision formulations for key kernels to leverage low-precision hardware without sacrificing fidelity.
• Develop data-centric optimization and GPU-centric communication strategies for post-exascale systems.
• Publish research in high-profile venues and contribute to upstream flagship codebases.

Skills

Performance modeling

Heterogeneous architectures

Molecular dynamics

Computational fluid dynamics

Quantum chemistry

Large-scale software

Education

Doctoral degree

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 a postdoc 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 (one of the world’s most widely used molecular dynamics packages), Neko (a highly scalable CFD framework nominated for the ACM Gordon Bell prize in 2023), and VeloxChem (a versatile open-source quantum chemistry software).

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.

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.

Application and eligibility

Application must be submitted through KTH’s recruitment system. The application should include:

• CV including relevant professional experience and knowledge.
• Copy of diplomas and grades from previous university studies. Translations into English or Swedish if originals are not in these languages.
• Brief account of why you want to conduct research, your academic interests and how they relate to your studies and future goals. Maximally two pages long.

Your complete application must be received at KTH no later than the last day of application, midnight CET/CEST (Central European Time/Central European Summer Time).

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 (2018:585). If this applies to the specific position, a security clearance will be conducted for the applicant in accordance with the same law with the applicant's consent. In such cases, a prerequisite for employment is that the applicant is approved following the security clearance.

We firmly decline all contact with staffing and recruitment agencies and job ad salespersons. 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.