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The Theory and Simulation Group develops efficient methods for atomistic simulations in nanostructured systems, which can fully exploit modern computer multiprocessor architectures, and applies them to selected problems in Nanoscience and Nanotechnology. These include (but are not restricted to) the SIESTA (see www.icmab.es/siesta) and TranSIESTA codes. SIESTA is a multi-purpose first-principles method and program, based on Density Functional Theory, which can be used to describe the atomic and electronic properties of systems with up to several thousands of atoms. TranSIESTA is an extension of SIESTA that enables the study of electronic transport phenomena in nanoscale devices. Both codes are among the most important of their kind and are widely used by the academic community.
The positions are framed within the spirit of the SIESTA-project, with a close collaboration between teams at the ICN2 (Pablo Ordejon, Barcelona), the ICMAB (Alberto García, Barcelona), and CIC nanoGUNE (San Sebastian, in collaboration with Emilio Artacho, in Cambridge).
Main Tasks and responsibilities:
The work focuses on using advanced programming tools to transition SIESTA, one of the MaX flagship codes, to exascale architectures, and enable its use for high-throughput calculations under the AiiDA infrastructure. Among the objectives of the position(s) within MaX-CoE we include:
Education, Experience, Knowledge and Competences required:
PhD in Physics, Materials Science, Chemistry, Computer Science, or related disciplines.
DFT methods, coding in Fortran+MPI, python.
· Professional Experience
Experience in computational science (ideally, with SIESTA), high-performance computing, and high- throughput calculations.
Strong commitment, attention to detail, demonstrated an ability to work with deadlines, manage conflicting priorities, excellent communication skills and ability to work with highly qualified professionals with international backgrounds.
Research Career Profile (According to the European Framework for Research Careers):
R3 Established researcher
Summary of conditions:
How to apply:
All applications must be made via the ICN2 website and include the following:
Deadline for applications: Review and Interviews of candidates will start immediately and continue until the position is filled.
ICN2 is an equal opportunity employer committed to diversity and inclusion of people with disabilities.