Paul Scherrer Institut
3 weeks ago
Postdoctoral Fellow on Development and Implementation of Novel Electronic-Structure Methods and Algorithms Paul Scherrer Institute in Switzerland
Degree Level
Postdoc
Field of study
Computer Science
Funding
Available
Deadline
Oct 1, 2026
Country
Switzerland
University
Paul Scherrer Institut

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About this position
The Paul Scherrer Institute (PSI) in Villigen, Switzerland, is offering a postdoctoral fellowship in the Laboratory for Materials Simulations within the Center for Scientific Computing, Theory and Data. The project focuses on the development and implementation of novel electronic-structure methods and algorithms, with an emphasis on computational condensed-matter physics and materials simulation.
The successful candidate will implement novel mixed-precision numerical algorithms for solving electronic-structure problems based on density-functional theory and density-functional perturbation theory. The work will be carried out in the DFTK.jl and SIRIUS libraries, in conjunction with the Quantum ESPRESSO package. In addition to method development, the postdoc will help develop, integrate, and disseminate computational capabilities that support PSI’s research on complex materials. The role also includes providing support and access to these tools for the PSI science and user program.
This is a full-time, fixed-term position. The initial appointment is for one year and may be extended depending on the continuation of project funding. The position is supported by the Swiss Platform for Advanced Scientific Computing (PASC). PSI is a major Swiss research institute with a strong interdisciplinary environment, modern employment conditions, and a culture of training and professional development.
Applicants should hold a PhD in computational condensed-matter physics or an equivalent field. Experience with atomistic simulation methods, HPC parallel computing, and programming in C++, Fortran, Julia, and Python is expected. Strong English communication skills and the ability to work effectively both independently and in a team are also required. Prior experience with density functional theory is considered desirable.
The application deadline is 1 October 2026. Interested candidates must apply online and submit a CV, publication list, and the addresses of three referees. For further information, candidates may contact Dr Iurii Timrov at [email protected].
Funding details
Available
What's required
PhD degree in computational condensed-matter physics or equivalent is required. Applicants should have 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, and the ability to work effectively both independently and in a team. Prior experience with density functional theory is desirable.
How to apply
Apply online via the provided Refline website. Submit your CV, list of publications, and addresses of three referees by 1 October 2026. For questions, contact Dr Iurii Timrov by email.
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