The position will be within Profs Geoffroy Hautier, Gian-Marco Rignanese and Xavier Gonze groups at UCLouvain and will be part of the NOMAD Center of Excellence funded by the European Union. NOMAD (http://nomad-coe.eu/) is a large collaborative project involving more than 10 academic institutions and high-performance computing centers across Europe.

The first position will focus on the set up of a library for computations based on Green's functions in Many-body Perturbation Theory and its optimization for Exascale computers, rendering possible accurate electronic structure and electron-phonon computations for systems with large number of atoms.

The second position will involve the development of high-throughput approaches for beyond-DFT methods targeting Exascale computers and the use of these methods in several use cases.

Applicants must have a PhD degree in materials science, chemistry or physics (or equivalent). Previous experience in ab initio computing and density functional theory (DFT) is required as well as very good coding skills (in python and/or Fortran). Experience in high-performance computing, high-throughput computing and/or workflows development is an advantage. Our groups offer an outstanding scientific environment with worldwide collaborations in the heart of Europe.

The starting date is ideally 1^st October 2020 but earlier or later starting date can be arranged if necessary.

Applicants should send their application (motivation letter, CV, contact info for 3 references) by e-mail to Geoffroy Hautier ([email protected]) and Xavier Gonze ([email protected]). Please use as e-mail subject: “postdoctoral application NOMAD 2020”, and submit your application before August 5, although skilled candidates are encouraged to apply even past this deadline, and until September 1, in case the positions are not yet filled.