link to homepage

Navigation and service

Ph.D. position: Developing and applying unique DFT code for leadership applications on Blue Gene/Q

Advertising institute: PGI-1 - Quantum Theory of Materials
Reference number: D002/2014, Computational Physics, Condensed Matter Physics, Supercomputing

One asset of the Institute Quantum Theory of Materials (PGI-1/IAS-1), member of the Peter Grünberg Institut (PGI-1) and the Institute for Advanced Materials (IAS-1), is its ability in developing and applying electronic structure codes based on the density functional theory (DFT) for cutting edge problems in nanoelectronics and energy.

juRS - the Jülich Real Space code is a newly designed electronic structure code based on the real-space finite difference scheme and the projector augmented wave method to exploit the power of massively parallel supercomputers for the structure optimization of complex bulk materials including structural and chemical disorder, large defects, surfaces or molecules in key areas of nanoelectronics and energy. The code runs efficiently on the currently available machines within PRACE (The Partnership for Advanced Computing in Europe, such as 292,000 core Blue Gene located in Jülich. In part, the code is developed with the group of Professor Ono at the Osaka University (, through whom we are also connected to the supercomputing project of the 10 petaflop supercomputer K in Kobe. The work is supported in part by a grant of the DFG (Deutsche Forschungsgemeinschaft) and JST (Japanese Science and Technology Agency). The work is integrated in the research objections of the section Fundamentals of Future Information Technology (JARA-FIT) and High-Performance Computing (JARA-HPC) of Jülich-Aachen Research Alliance (JARA).

Job description:
We are looking for a Ph.D. student who shares our excitement to develop juRS further as a unique scientific method for one of the fastest computers in the world, the Blue Gene/Q, and feels the thrill to carry out unique calculations and to perform leadership simulations in condensed matter and materials physics that have never beed done before. The development benefits from the interaction with the Aachen Institute for Advanced Study in Computational Engineering Science, AICES, ( The candidate has the opportunity to have close contact to scientists that design Tier-0 computers of the future.

Your Profile:
The candidate should have a

  • Master's degree in science, preferably physics or simulation science
  • and is expected to have a solid background in condensed matter physics, numerical math and should be familiar with the typical skills in computational physics.
  • Existing expertise in the DFT-based simulations and solid state physics will be an advantage.
  • Ability to communicate with scientist and the scientific community.
  • Well-structured and systematic research approach
  • Prior experiences in scientific publishing, or the interest in publishing can be of advantage.

What We Offer:

  • Research in a friendly, multitopical and international setting
  • as well as a cooperative work environment in a dynamical institute.
  • A fantastic research and computational infrastructure

Forschungszentrum Jülich is located close to the border between Belgium, the Netherlands and Germany and with strong links to the ABCD Region (Aachen, Bonn, Cologne, Düsseldorf), which is one of the leading high-tech regions in Europe.

Forschungszentrum Jülich aims to employ more women in this area and therefore we particularly welcome applications from women. We also welcome applications from disabled persons.

We invite interested candidates to send your application including a statement of research interest, a CV, copies of exams, degrees and grades, a copy of your Master thesis (or a draft thereof), published articles or other relevant material such as letter(s) of recommendation (if applicable) to Prof. Stefan Blügel (email:

For further information please contact Prof. Blügel or visit our website at