The Paul Scherrer Institute PSI is the largest research institute for natural and engineering sciences within Switzerland. We perform cutting-edge research in the fields of future technologies, energy and climate, health innovation and fundamentals of nature. By performing fundamental and applied research, we work on sustainable solutions for major challenges facing society, science and economy. PSI is committed to the training of future generations. Therefore, about one quarter of our staff are post-docs, post-graduates or apprentices. Altogether, PSI employs 2300 people. 

For the Laboratory for Materials Simulations (LMS) of the PSI Center for Scientific Computing, Theory, and Data (CSD) we are looking for

Two Postdoctoral Fellows on development and implementation of novel electronic-structure methods and algorithms

Apply online now

Your tasks

  • Position 1 (P1): Implement novel mixed-precision numerical algorithms for solving electronic-structure problems (based on density-functional theory) in the DFTK.jl and SIRIUS libraries in conjunction with the Quantum ESPRESSO package
  • Position 2 (P2): Integrate the implementation of advanced electronic structure functionals based on frequency-dependent response functions (dynamical Hubbard functionals) with the Quantum ESPRESSO package and the SIRIUS library 
  • P1&P2: Develop, integrate, and disseminate in the PSI community and the scientific community at large the computational capabilities required to understand, predict, and characterize complex materials as studied at PSI research facilities 
  • P1&P2: Provide support and access to these computational capabilities for the PSI science and user program

Your profile

  • PhD degree in computational condensed-matter physics or equivalent 
  • Experience with the development, implementation and application of atomistic simulation methods 
  • Programming skills in C++, Fortran, Julia, and Python 
  • Experience with parallel computing using HPCs 
  • Strong written and oral communication skills in English 
  • The ability to work effectively independently and in a team 
  • Prior experience with density functional theory is desirable

We offer

Our institution is based on an interdisciplinary, innovative and dynamic collaboration. You will profit from a systematic training on the job, in addition to personal development possibilities and our pronounced vocational training culture. If you wish to optimally combine work and family life or other personal interests, we are able to support you with our modern employment conditions and the on-site infrastructure. 

These are fixed-term positions supported by the Swiss Platform for Advanced Scientific Computing (PASC). The employment contract will (initially) be limited to 2 years for Position 1 and 2+1 years for Position 2 (upon satisfactory performance, and extendable upon funding continuation).

For further information, please contact Dr. Iurii Timrov, iurii.timrov@psi.ch (for Position 1) or Dr. Nicola Colonna nicola.colonna@psi.ch (for Position 2).

Please submit your application online by 30 April 2025 including list of publications and addresses of referees for the position as a Postdoctoral Fellow (index no. 7300-00).


Paul Scherrer Institute Human Resources Management Mr. Mariusz Prus 5232 Villigen PSI, Switzerland