One PhD position related to ABINIT

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One PhD position related to ABINIT

Post by gonze » Mon Jun 22, 2020 5:19 pm

One PhD position on surface-enhanced spectroscopy by quantum chemistry and second-principles calculations

Outstanding highly-motivated candidates are sought to work at the UNamur (Namur, Belgium) in collaboration with UCLouvain (Louvain-la-neuve, Belgium) on the SURFASCOPE project, focusing on the design and implementation of a numerical approach to interpret and guide Surface Enhanced Vibrational Spectroscopies (SEVS), based on second-principles calculations, i.e. on top of first-principles calculations (GAUSSIAN, ABINIT).


Candidated should hold a MSc (or equivalent) in Physics, Chemistry, Materials Science. Demonstrated coding experience is required (FORTRAN and/or Python). Good knowledge of English, both written and oral, is compulsory. An experience in quantum chemistry and on the usage of quantum chemistry codes such as Gaussian, Dalton, Turbomole, QChem, … is a plus.


The retained candidates will join a large national and international collaboration: five positions are funded for joint work between the UNamur (L. Henrard and V. Liégeois) and UCLouvain (X. Gonze and G.-M. Rignanese), Belgium, with collaborators at the ULiège, Belgium (MULTIBINIT), at the U. Santander, Spain (SCALE-UP) and in the CEA, Bruyères-le-Châtel, France (ABINIT). Currently, three PhD students and one postdoc are already working on the subject. The PhD student concerned by this position will join them in Summer 2020. The different tasks attributed to the different people have been clearly identified.


The doctoral position is funded for four years, in the form of renewable one-year contracts. The PhD student will be located at UNamur, with frequent visits to UCLouvain. Salaries follow the legal scale for doctoral positions in Belgium (indicatively around 1800 Euros after taxes). The candidate should have obtained recently (no more than 4 years) the MSc. The candidate can also be finishing her/his Master degree and should therefore mention the approximative date of availability.


Applicants should send their CV (pdf) as well as a brief motivation letter and a brief description of their coding skills and scientific achievements, to before July 10, 2020. They should also arrange for two letters of recommendation to be sent to the same address by their writer.