Uppsala University, KTH and Örebro University announce up to two positions as research software engineer (RSE) for computational materials science.

Quantum mechanical modeling based on density functional theory (DFT) has evolved to a cornerstone of computational materials science, with applications to a wide range of functional materials, quantum materials, and materials relevant to green technologies. DFT provides a tractable means to model the complex interactions of a quantum mechanical many-body system.

The RSE will work in the research environment in computational materials physics led by Prof. Olle Eriksson, Dr. Anders Bergman and Dr. Manuel Pereiro at Uppsala University, Prof. Anna Delin at KTH Royal Institute of Technology, Stockholm, and Dr. Danny Thonig, Örebro university. The joint research is based on advanced first-principles electronic structure calculations, coupled to atomistic low energy, spin Hamiltonians and/or phenomenological models to study fundamental magnetic and topological phenomena from a computational/theoretical perspective. Current research interests in the environment include atomistic spin dynamics, multiscale dynamics, flexomagnetism, emergence of topological magnetic textures, topological magnons, two-dimensional magnetic materials, and femtosecond physics. A central part of these activities is code and method development, which in the current project will be pursued in collaboration with Dr. Johan Hellsvik at the PDC Center for High Performance Computing, KTH.

The focus for the present RSE position is to bring a selection of our in-house developed atomistic spin dynamics code to current high-performance computer architectures, such as the GPU-based Dardel (https://www.pdc.kth.se/) and LUMI supercomputers (https://www.lumi-supercomputer.eu/) which are the fastest supercomputers in Sweden and in Europe, respectively. The RSE will be working on performance analysis, performance engineering, algorithmic design, and implementation of code. Work will be undertaken on porting algorithms and code to GPU architecture.

The applicant is expected to have a MSc or PhD degree in Scientific Computing or Computational/Theoretical Physics, with a strong background in software engineering using languages such as Fortran, C, and C++ as well as frameworks and languages for computing on GPUs such as HIP, CUDA, SYCL, and OpenMP. In addition, good skills in numerical methods, scientific computing, and general solid-state physics are desired.

The application should include a statement of professional interests, CV, certificates of exams, degrees and grades, a copy of the MSc or PhD thesis, or equivalent, published articles and other relevant materials, if available. Special attention will be given to earlier experience of development of scientific software for high performance computing systems. Also, letter(s) of recommendation can be included.

The position is full time and is open for two years and starting date is October 2023, or after negotiation. For further information, please contact Dr. Johan Hellsvik [email protected], Prof. Anna Delin, [email protected], Dr. Anders Bergman, Dr. Manuel Pereiro and Prof. Olle Eriksson, [email protected], Dr. Danny Thonig.