KTH Royal Institute of Technology

KTH Royal Institute of Technology in Stockholm has grown to become one of Europe’s leading technical and engineering universities, as well as a key centre of intellectual talent and innovation. We are Sweden’s largest technical research and learning institution and home to students, researchers and faculty from around the world. Our research and education covers a wide area including natural sciences and all branches of engineering, as well as architecture, industrial management, urban planning, history and philosophy.

Department information

The PDC – Center for High Performance Computing is the leading Swedish supercomputing center hosted by KTH. It operates state-of-the-art computational and storage resources for a variety of scientific application domains, including mechanics, computational chemistry, life sciences, climatology, and physics. Amongst these systems is the currently largest supercomputer in the Nordics, Beskow, a 2.5 PF Cray XC-40 system with over 67,000 cores.

PDC has a long history working with academic codes, including particularly the Molecular Dynamics simulation code GROMACS. Together with leading researchers in this field PDC is active in international and national projects aiming at improving the performance and scalability of these codes towards the Exascale.

For more information go to https://www.pdc.kth.se/.

Job description

A large number of scientific applications use particle interactions (e.g. Molecular Dynamics, Monte Carlo and multiscale simulations in life sciences or materials). However, as computers have become more specialized, many codes have not been accelerated e.g. for GPUs and it is increasingly hard to maintain parallelization efforts.

The goal of the project is to develop a library of cutting-edge performance nonbonded interactions as well as a parallelization framework, based on GROMACS, that can be used by other particle applications. This includes abstracting suitable parts from GROMACS into a library and improve the performance and scalability of this library on cutting edge exascale hardware (including accelerators).
The project is part of the EU-funded PRACE project and will be executed in collaboration with the KTH-based core GROMACS team and partners from CSCS, the Swiss national supercomputing center.

The starting date is open for discussion, though ideally we would like the successful candidate to start as soon as possible.


Candidates need to have a higher academic education (preferably PhD) in computer science, computational science, or in a science area using molecular dynamics simulations.

Proven experiences in developing and working with large scientific codes on large HPC systems. Experiences with molecular dynamics codes are a plus. Excellent knowledge of parallel computing (MPI, OpenMP, GPU, etc.) as well as C++11/14 is required. Experiences in developing APIs (preferably in C, C++, or python) good knowledge of python is an asset. Good knowledge of Linux is required.

Great emphasis will be placed on personal competence and suitability.

Trade union representatives

You will find contact information to trade union representatives at KTH's webbpage.


Log into KTH's recruitment system in order to apply to this position. You are the main responsible to ensure that your application is complete according to the ad. Your complete application must be received at KTH no later than the last day of application.

Application shall include the following documents:

  1. Curriculum vitae
  2. Transcripts from university/university college
  3. Brief description of why the applicant is interested in the position.

Other information

Gender equality, diversity and zero tolerance against discrimination and harassment are important aspects of KTH's work with quality as well as core values in our organization.

For information about processing of personal data in the recruitment process please read here.

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Type of employment Temporary position longer than 6 months
Contract type Full time
First day of employment As agreement
Salary Monthly salary
Number of positions 1
Working hours 100%
City Stockholm
County Stockholms län
Country Sweden
Reference number J-2019-1005
  • Erwin Laure / Director PDC, erwinl@pdc.kth.se
  • Maria Engman / Deputy HR Manager, maengm@kth.se
Published 12.Apr.2019
Last application date 31.May.2019 11:59 PM CET

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