Postdoctoral Fellow: Advanced Electronic-Structure Methods

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

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.