Financement d’un doctorat en simulation moléculaire à l’Université Savoie Mont Blanc

L’Agence Nationale de la Recherche (ANR) finance un poste de doctorant à l’Université Savoie Mont Blanc sur les simulations moléculaires de membranes hybrides organiques-inorganiques pour la séparation de gaz à hautes températures et pressions. Le poste est situé sur le campus de Savoie Technolac près de Chambery, dans les Alpes françaises. Le doctorant travaillera en collaboration étroite avec l’équipe néerlandaise de l’université de Twente aux Pays-Bas, où il devra se rendre au moins un mois par an. Le candidat devra avoir de l’expérience et un intérêt marqué pour la méthodologie de simulation appliquée à la synthèse macromoléculaire complémentaire. Une moyenne minimale de 14/20, ainsi que de bonnes compétences de communication en anglais sont demandées. Le projet démarrera entre octobre et décembre 2018. Les candidats doivent envoyer dès que possible un CV, une lettre de recommandation, des informations complémentaires sur leur diplôme, ainsi que deux lettres de recommandation (avec les coordonnées des professeurs) au Dr. Sylvie NEYERTZ ( Plus d’infos sur

PhD position available – molecular simulation – Univ. Savoie Mont Blanc, France

A PhD studentship funded by the French « Agence Nationale de la Recherche » (ANR) is available at the University Savoie Mont Blanc, France (USMB –, to work on molecular simulations of hybrid organic-inorganic membranes for gas separation at elevated temperatures and pressures. The location is the Savoie Technolac campus ( situated next to Chambery and the « Lac du Bourget » in the French Alps, about 70 km north of Grenoble and 90 km south of Geneva, Switzerland. The student will also work in close collaboration with a Dutch team at the University of Twente, the Netherlands.

The partners are the « LEPMI/LMOPS » team at USMB, France (–720574.kjsp) and the « Films in Fluids » group at the University of Twente, the Netherlands ( The student will mostly be located in France, but will be expected to spend at least one month per year in the Netherlands. On-campus accommodation will be provided during the short visits.

Summary of the project: Gas separation by dense polymer membranes is an environmentally sustainable alternative to the distillation or adsorption separation processes due to its much lower energy costs. This is critical for chemical industries, where the separation of mixtures accounts for over 50% of the energy costs. Applications include e.g. natural gas sweetening, treatment of flue and purge gases or hydrogen separations. Unfortunately, polymers tend to lose their structural integrity at high temperatures and pressures. The University of Twente has recently developed new hybrid thin and defect-free membranes based on inorganic POSS covalently bonded with organic imides. These networks are indeed able to resist harsher conditions than conventional polymers, but they cannot be used over 300°C. The aim of the project is to exploit the possibilities opened up by this innovative class of materials in order to develop new hybrid membranes capable of performing at even higher temperatures and pressures, based on a combined molecular modelling and experimental approach. Molecular dynamics simulations will be used at LEPMI-USMB to pre-screen a novel set of candidate polyPOSS-imides for improved thermal and mechanical resistances without compromising their gas separation function. They will first be characterized at the molecular-level under a full set of both normal and harsh conditions. Only the most promising structures will then be synthesized, characterized and upscaled experimentally by Twente. This combined material-design/experimental approach should lead to better membranes for selective mixed-gas separations of industrial interest at high temperatures and pressures.

Qualifications and Eligibility: The PhD candidate should have a background and a strong interest in simulation methodology, as applied to complementing macromolecular synthesis. A minimum grade of 14/20 (or an equivalent academic qualification) and good English communication skills are expected. Computing proficiency is also highly desirable. Candidates who have experience of working in a modelling/experimental project will be particularly welcome. The project is expected to start in October 2018, or as soon as possible thereafter, and before December 31st 2018.

How to apply: Interested applicants should send as soon as possible to Dr Sylvie Neyertz at USMB (email: the following information:

1) a cover letter

2) a detailed CV

3) information about the type, class and grade of their degree

4) at least two letters of recommendation (along with the email addresses and contacts of the two referees)


Avant octobre 2018


27 rue Marcoz 73000 CHAMBÉRY


Dr Sylvie Neyertz