Multiple postdocs in SIESTA development (MaX project) at ICN2

27 Oct 2022

The Theory and Simulation Group at the Catalan Institute of Nanoscience and Nanotechnology - ICN2 (Barcelona area) is seeking to appoint three postdoctoral researchers to work in the 4-year, EU-funded, third MaX CoE (MAterials design at the eXascale European Centre of Excellence) project.

The group has broad experience in the development of electronic structure methods and their application in order to perform atomistic simulations of molecules and materials. These include (but are not restricted to) SIESTA and its TranSIESTA functionality. 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. SIESTA is widely used by the academic community (about one thousand citations per year), and has been a flagship code of the MaX European Centre of Excellence for exascale computing in Materials Science since its inception in 2015.

The project will be conducted in close collaboration with other SIESTA developers at the Institute of Materials Science of Barcelona (ICMAB-CSIC) and the Barcelona Supercomputing Centre (BSC-CNS), and in coordination with the developers of the other MaX flagship codes, a set of leading European HPC centres, and selected European private sector technological partners.

The work at the ICN2 node focuses on using advanced programming tools to turn SIESTA into a lighthouse exascale-oriented application with enhanced scientific capabilities. Post holders will design, implement and test new methods and algorithms so that SIESTA can harness the compute power of the latest generation of (pre-)exascale architectures and tackle novel scientific challenges. It is also expected that some of the post holders will contribute to the design, implementation and testing of AiiDA-based exascale workflows that employ SIESTA, thus providing an additional avenue to leverage and saturate exascale performance.

For further details, including the application form, please visit https://jobs.icn2.cat/job-openings/448/postdoctoral-researchers-max-coe-project-at-theory-and-simulation-group. Note that at this stage there is some flexibility regarding some of the terms of employment, such as the precise tasks to undertake, paygrade, and contract duration. These will be determined based on qualifications, demonstrated experience, and the match between the scientific and technical profile of the successful candidates and the tasks to be undertaken as part of the project.

In order to guarantee full consideration of your application please submit it by the 20th November 2022. After that date, applications will be accepted until the positions are filled. The project will start on the 1st January 2023, and the start date of the postdocs shall be as soon as practicable from that date onwards.

Please direct any informal inquiries to the line manager of the post, Prof. Pablo Ordejón (pablo.ordejon@icn2.cat), and use [MaX postdocs] as the subject line. Note, however, that the link above must be used for formal applications.