Job Description

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

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 a

Your tasks

Implement novel mixed-precision numerical algorithms for solving electronic-structure problems (based on density-functional theory and density-functional perturbation theory) in the DFTK.jl and SIRIUS libraries in conjunction with the Quantum ESPRESSO package
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
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.

This is a fixed-term position supported by the Swiss Platform for Advanced Scientific Computing PASC. The initial appointment is for 1 year. The contract may be extended, subject to the continuation of project funding.

For further information, please contact Dr Iurii Timrov, e-mail iurii.timrov@psi.ch.

Please submit your application online by 1 October 2026 including your CV, list of publications, and addresses of three referees for the position as a Postdoctoral Fellow (index no. 7300-29625).

Paul Scherrer Institute, People & Culture, Emily Kulowatz, 5232 Villigen PSI, Switzerland

www.psi.ch

About PSI Paul Scherrer Institut

The Paul Scherrer Institute PSI develops, builds and operates large, complex research facilities and makes them available to the national and international research community. The institute's own key research priorities are in the fields of future technologies, energy and climate, health innovation and fundamentals of nature. 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 2200 people, thus being the largest research institute in Switzerland. The annual budget amounts to approximately CHF 400 million. PSI is part of the ETH Domain, with the other members being the two Swiss Federal Institutes of Technology, ETH Zurich and EPFL Lausanne, as well as Eawag (Swiss Federal Institute of Aquatic Science and Technology), Empa (Swiss Federal Laboratories for Materials Science and Technology) and WSL (Swiss Federal Institute for Forest, Snow and Landscape Research).

For more information, please visit www.psi.ch/en

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Industry

Biotech & Life Sciences

Company Size

1,001-5,000 employees

Headquarters

Villigen PSI, CH

Year Founded

1988

Website

psi.ch

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