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

Paul Scherrer Institut; Villigen; Vor Ort; CHF 90.000 - 110.000; Vollzeit

Zusammenfassung

The Paul Scherrer Institute (PSI) is seeking a Postdoctoral Fellow to develop and implement novel electronic-structure methods and algorithms. The role focuses on mixed-precision numerical algorithms for DFT-related problems in DFTK.jl and SIRIUS, in close collaboration with Quantum ESPRESSO.

You will contribute to building computational capabilities for PSI's materials research and enable access for the PSI science and user program, in a dynamic, interdisciplinary team environment.

Qualifikationen

• PhD in computational condensed-matter physics or equivalent.
• Experience with development and application of atomistic simulation methods.
• Strong programming skills in C++, Fortran, Julia and Python.
• Experience with parallel computing using HPCs.
• Excellent written and spoken English; ability to work independently and in a team.
• Prior experience with density functional theory is desirable.

Aufgaben

• 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

Kenntnisse

C++, Fortran, Julia, Python

HPC parallel computing

English communication

Independent and teamwork

Ausbildung

PhD in computational condensed-matter physics

Tools

DFTK.jl

SIRIUS

Quantum ESPRESSO

Jobbeschreibung

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 [e-mail].

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