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Post-doc position open in Paris (ENS / PSL)

par Nord & Ile de France - 13 octobre 2020

Mechanical energy storage in microporous materials

A postdoc position is available at École normale supérieure (Paris, France) in the group of Dr. Anne Boutin, in collaboration with Dr. François-Xavier Coudert.

Download the full announcement here :

Description :

This research project is devoted to development of new highly efficient heterogeneous hydrophobic systems for mechanical energy storage, based on high pressure intrusion-extrusion of electrolyte solu- tions in hydrophobic microporous materials such as zeolites and metal–organic frameworks. Within a col- laboration network of specialists in synthesis and characterisation of materials, as well as adsorption and high-pressure intrusion, we develop and use molecular simulation methods to better understand the in- trusion mechanism of electrolytes at the atomistic and thermodynamic level. The project will focus on the intrusion-extrusion of highly concentrated electrolyte aqueous solutions in porous solids, with varying of cation and anion nature, and the interplay with host phase flexibility.

The post-doctoral researcher will benefit from the training and supervision of two simulation-focused research groups : at ENS, Anne Boutin is a specialist in the development of Monte Carlo simulation algo- rithms for phase equilibria ; at Chimie ParisTech, François-Xavier Coudert leads a team with expertise in both ab initio and classical molecular dynamics. In this context, the post-doctoral researcher will focus on the development of hybrid MC/MD schemes for the simulation of intrusion of electrolytes in flexible na- noporous materials. The goal is to develop a methodology that can describe both the phase equilibrium of the electrolyte (including insertion/removal of ion pairs) and the important flexibility of the host phase (typically a metal–organic framework).