Archived: Job: Scientific Programmer with focus on Molecular Dynamics Codes at KTH/PDC

KTH Royal Institute of Technology

KTH Royal Institute of Technology in Stockholm is the largest and oldest technical university in Sweden. No less than one-third of Sweden’s technical research and engineering education capacity at university level is provided by KTH. Education and research spans from natural sciences to all branches of engineering and includes Architecture, Industrial Management and Urban Planning. There are a total of 12,400 full year students at first and second levels, almost 1,900 active (at least 50 per cent) research students and 5,100 employees.

For information about the School of Computer Science and Communication, please visit

Department information

The position is placed at PDC – Center for High Performance Computing. PDC is the leading Swedish supercomputing center hosted by the School of Computer Science and Communication at 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 1973 TF Cray XC-40 system with over 53,000 cores.

PDC is the leading Swedish institution in the field of large-scale computing (exascale computing) and takes part in many national and international high-profile projects. For instance, PDC is leading the recently launched European Center of Excellence for Computational Biomolecular Research ( and leads the SSF funded Swedish Exascale Computing Initiative. PDC collaborates closely with the KTH-based GROMACS team.

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Job description

The successful candidate will join the PDC team working closely with academic molecular dynamics researchers. The main focus of the work will be the development of molecular dynamics codes, particularly GROMACS. This includes both the development of new methods as well as code analysis and optimization.

The work will also include exploration, performance characterisation and optimization of new computing strategies, like for instance accelerators and GPUs. Close interactions with the KTH-based Gromacs team are expected. Synergies with other domains, e.g. CFD (the Nek5000 code) will be strived for. Close interactions with vendors like Intel or Nvidia are also intended.

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 an academic education in physics, computer science, computational science, or in a science area and proven experiences in developing scientific software, ideally molecular dynamics codes, for large HPC systems. Excellent knowledge of parallel computing (MPI, OpenMP, GPU, etc.) as well as C++ is required. Good knowledge of Linux and security mechanisms are required. Although not required, a PhD in the mentioned area would be a plus.

Trade union representatives

You will find contact information to trade union representatives at KTH:s web page.


Applications shall include the following documents:

  1. Cover letter
  2. Curriculum vitae
  3. Transcripts from university/university college
  4. References

Please observe that all material needs to be in English.

Log in to 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.

Other information

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Type of employment Temporary position longer than 6 months
Working hours Full time
First day of employment According to agreement
Salary Monthly salary
Number of positions 1
Working hours 100%
City Stockholm
County Stockholms län
Country Sweden
Reference number D-2016-0144
  • Erwin Laure, Director PDC, + 46 8 790 6914,
  • Gert Svensson, Dep. Director PDC, + 46 8 790 7884,
  • Maria Widlund, HR-Manager, + 46 8 790 9754,
Published 15.Mar.2016
Last application date 30.Apr.2016 11:59 PM CET

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