Job: Work with BioExcel as an HPC application expert

The Max Planck Computing and Data Facility (MPCDF), based on the research campus Garching near Munich, Germany, is a competence centre of the Max Planck Society (MPG). The MPCDF operates supercomputers and data repositories for the MPG and is engaged in the development and optimization of algorithms and applications for high performance computing (HPC), artificial intelligence and machine learning, as well as in the design and implementation of solutions for data-intensive projects in close collaboration with the Max Planck Institutes. The MPCDF is looking for a HPC application expert (m/f/d) Kennziffer 05/2022.

The successful candidate will be associated with the applications group at the MPCDF and will work on the implementation of new methods in the classical molecular dynamics (MD) software package gromacs, and support the research and training activities of the EU Centre of Excellence Bioexcel.

Your qualification

The applicant should hold a PhD in Physics, Computer Science, applied Mathematics, or a similar subject. Experience in scientific software development, in particular parallel programming with C and C++, as well as basic knowledge of the classical molecular dynamics (MD) methodology is mandatory. Ideally, the candidate is already familiar with one of the commonly used MD software packages like, e.g. gromacs. Knowledge in GPU programming, e.g. with CUDA, HIP, or SYCL is considered as a plus.

Our offer

We offer the opportunity to work on one of the world-leading MD software packages, in close collaboration with the core development team at KTH (Stockholm, Sweden) as well as with the department of theoretical and computational biophysics at the Max-Planck Institute for Multidisciplinary Sciences (Göttingen, Germany), and with access to the latest supercomputer technologies.

Working in the Bioexcel Center of Excellence, the successful candidate will be embedded in an international consortium of leading experts in computational biophysics, numerical MD methods and high-performance computing, and has the opportunity to present at national and international conferences.

Additional benefits include:

  • Helpful, highly motivated and multi-disciplinary team
  • Open, inspiring, dynamic and international atmosphere
  • Options for training and professional development
  • Flexible working hours with liberal options for mobile working
  • Various offers to reconcile work and family life, e.g. childcare on campus
  • Close by Underground Station (U6); MVV job ticket with extra grants
  • Free parking on premise

The full-time position starts as soon as possible and is initially limited for a maximum period of three years. Salary will be based on experience according to the German TVöD.

Your application:

Please find more information on For further questions, contact Dr. Markus Rampp (

Please apply with a letter of motivation and a CV online by September 30th, 2022.

The ideals of mutual respect, open-mindedness and consideration are important to us. We have a diverse workforce from different countries and cultures at the MPCDF. We aim to increase the proportion of women in IT and therefore encourage qualified women to apply. In order to cultivate teamwork and a positive working atmosphere, equal opportunities and equal treatment play an important role for all aspects of personal identity, such as gender, sexual orientation, country of origin, nationality, language skills, race, religion, culture, appearance, family status, age, or handicap. Persons with disabilities will be given preferential consideration if equally qualified.