Vacancy for a Ph.D. student at Ghent University — Ranking molecular crystal structures with a QM/MM many-body expansion

We are pleased to announce a fully funded PhD position at Ghent University, for a duration of four years, supervised by prof. Toon Verstraelen (UGent, Center for Molecular Modeling, http://molmod.ugent.be). The student will be working at the Center for Molecular Modeling, a multidisciplinary research team of 40 researchers from the Faculty of Sciences and the Faculty of Engineering and Architecture. In this project, force-field methodologies recently developed in our group will be combined with state-of-the-art quantum-mechanical methods to predict the relative stabilities of crystal structure polymorphs.

Job Description

We recently proposed new methods to derive intermolecular force fields directly from molecular electron densities. The goal of this project is to combine our recent developments (published and ongoing) with a QM/MM many-body expansion of the relative stability of organic molecular crystals. The project focuses primarily on accurate predictions of the free energy of known or hypothetical molecular crystals but can be extended to include crystal structure discovery also. You should complete a reasonably accurate version of the methodology in time for the next CSP blind test. You are also expected to disseminate your research in publications in leading journals in the field and to submit and defend your thesis before the end of the contract.

Profile of the candidate

We are seeking exceptionally qualified and motivated applicants for this position. This means only students with high grades and research experience in their B.Sc. and M.Sc. studies in physics, applied physics, chemistry or chemical engineering from renowned universities will be considered. This position is open for applicants with a background in molecular simulation, quantum mechanics, force-field models, UNIX and programming in C++ and Python. In addition to a strong scientific and technical background, it is important that you have good scientific communication skills (written and oral) and sufficient social aptitude to integrate in a diverse and competitive research group.

How to apply

Applications should be sent to [email protected] before May 1, 2018, with the subject: "Application for Ph.D. position - Ranking molecular crystal structures with a QM/MM many-body expansion". The application should include:

• a detailed Curriculum Vitae,

• a cover letter describing why you should be considered for this position,

• transcripts of B.Sc. and M.Sc. courses and grades,

• copies of educational certificates and

• a list of two professors who have supervised you in your B.Sc. and/or M.Sc. research project and who are willing to provide a letter of recommendation.

All documents should be in PDF format and written in English. From all applications, a short-list of candidates will be made, who will be contacted for an interview over Skype.