The positions will contribute to the development of scientific software to calculate spectral properties of materials on complex accelerated hardware architectures, as deployed in existing HPC systems and in future pre- and exascale machines. The positions will integrate existing implementations of advanced density-functional formulations (Koopman’s spectral functionals, extended Hubbard functionals (U/V/J), maximally-localized Wannier functions) with SIRIUS, a library for electronic structure calculations developed at Swiss National Supercomputing Centre (CSCS) to provide support to several density-functional theory codes on accelerated architectures.
Outstanding candidates are sought with a strong interest in methodological and software development, and with programming abilities in Fortran and/or C++ and parallel computing, preferably with a background in physics/chemistry/materials or engineering/computer science. A knowledge of the CUDA programming model is a plus.
Close collaborations will take place with the Swiss Supercomputing Center CSCS, and natural synergies will be present with the Swiss National Centre MARVEL on Computational Design and Discovery of Novel Materials and the H2020 MaX Centre of Excellence on Materials Design at the eXascale.
Deadline for best consideration: October 31, 2021.
For details (selection criteria, application), see the full text here:
Other openings in the group are listed here.
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