Postdoctoral (Nanoscience and Nanotechnology): MAX-COE PROJECT, ICN2 2978 views

Postdoctoral (Nanoscience and Nanotechnology): MAX-COE PROJECT, ICN2

Post-doctoral Researchers within the MAX-COE PROJECT, Catalan Institute of Nanoscience and Nanotechnology (ICN2)

Overview

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 and TranSIESTA codes.

Project: 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).

Major Tasks and Responsibilities:

The work will focus 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:

1. Modularising MAX codes to foster maintainability, to consolidate similar functionality within a single code and across different MAX codes and to enable the use of performance tuned and architecture adjusted modules.
2. Utilising advanced programming schemes and methods to make the codes ready for heterogeneous pre-exascale architectures and to implement new algorithms.
3. Enabling the use of MAX codes in high-throughput calculations, providing an additional avenue to leverage and saturate exascale performance.
4. Implementation and testing of workflows for high-throughput calculations.
5. Preparation of scientific reports, papers and software documentation.
6. Contribution to other activities in the group.

Education, Experience, Knowledge and Competences required:

1. PhD in Physics, Materials Science, Chemistry, Computer Science, or related disciplines.
2. DFT methods, coding in Fortran+MPI, python.
3. Experience in computational science (ideally, with SIESTA), high-performance computing, and high- throughput calculations.
4. Strong commitment, attention to detail, demonstrated ability to work with deadlines, manage conflicting priorities,
5. Excellent communication skills and ability to work with highly qualified professionals with international backgrounds.

Research Career Profile:  R3 Established researcher

Work conditions:

1. Full time work (37,5h/week)
2. Contract Length: 1 year renewable yearly until 3 years.
3. Salary will depend on qualifications and demonstrated experience.
4. Salary according to the cost of living in Barcelona.
5. Support to the relocation issues.
6. Life Insurance.

Application Procedure:

All applications must be made via the ICN2 website and include the following:

1. A cover letter.
2. A full CV including contact details.
3. two Reference letters or referee contacts.

Deadline for applications: Review and Interviews of candidates will start immediately and continue until the position is filled.