Psi-k: Open PhD position in computational chemistry – Nancy, France

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Open PhD position in computational chemistry – Nancy, France

Open PhD position in computational chemistry – Nancy, France

Project. We are looking for a highly motivated PhD student to develop a new and ultra-efficient modeling approach to determine the solvation properties in supercritical CO2 (solvation free energy and solvent organization around the solute). This new method will rely on statistical liquid theory (e.g. classical DFT), combined with molecular dynamics simulations. We will then be able to efficiently explore the phase diagram of supercritical CO2 and determine the best pressure and temperature to maximize the solubility. We will apply this method in particular to compounds of interest in the pharmaceutical domain.

General information. The PhD project will be under the joint supervision of Dr. Antoine Carof et Dr. Francesca Ingrosso, in the LPCT lab (University of [email protected], France). A PhD student's gross salary is about 1800 €/month, for three years (36 months), starting October 1st, 2021.
Requirements. The candidate should possess or should be about to obtain a Master’s degree in Physical Chemistry, Physics, Chemistry or Engineering with at least merit or distinction (passing grade >= 12/20 in the French system). It is highly desirable to have a good knowledge of liquids on a molecular scale, skills in numerical simulation/molecular simulation or a high motivation to learn, skills in programming (Fortran, Python) or a high motivation to learn.
Application. Applicants should send a complete CV as well as the contact information of at least two senior scientists to :
Further information:
– About PhD programs in France:
– About the University:
– About the city of Nancy:
– About the region:

Dr. Francesca Ingrosso
Institut Jean Barriol, LPCT UMR 7019
CNRS – Université de Lorraine
54506 Vandoeuvre-lès-Nancy Cedex, France
Phone: +33 (0)3 72 74 52 73
Fax: +33 (0)3 72 74 52 71
Email: [email protected]