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Benjamin Rotenberg

by Benjamin Rotenberg - 21 March 2014

All the versions of this article: English , français

CNRS Research fellow

Section 13 - Physical, theoretical and analytical chemistry

- Building 42-43, 2nd floor, room 206
- tel: +33 1 44 27 22 03 / fax: + 33 1 44 27 32 28
- e-mail: benjamin.rotenberg ad upmc.fr
- Researcher ID: C-5490-2014

In short

Download CV (Sep. 2017)

Publication list

PI of the LENNS and "Blue energy" and desalinisation projects, deputy coordinator of ETN NANOTRANS, PI of FET NANOPHLOW.

Co-director of integrated project Multiscale behaviour of materials for waste disposal (MIPOR) of the NEEDS Program (Nuclear: Energy, Environment, Waste, Society)

Post-doc position available

- More details here

Research interests

My work focuses on the multiscale modelling of charged systems and their applications to systems of industrial and environmental interests in the field of Energy. More specifically, I am interested in charged porous materials such as clays for their role in the geological disposal of nuclear waste and in CO2 sequestration, as well as nanoporous carbons for electricity storage in supercapacitors or for the harversing of blue energy (exploiting salinity gradients between sea- and river water) or desalinition.

The aim is on the one hand to understand the mechanisms reflecting chemical specificity on the molecular scale, and on the other hand to introduce appropriately their effects on larger scale models, where other the structural complexity of materials has an impact on transport properties. Therefore I work not only on the simulation at the molecular and mesoscopic levels, but also on the link between the various levels of descriptions. This also involves methodological developments on the various scales.

Physical chemistry of nanoporous materials: molecular simulation
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  • Clays
  • Supercapacitors

Multiscale modelling of electrokinetic phenomena
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  • Mesoscopic lattice models
  • Multiscale approaches

Coarse-graining : from one scale to the next
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  • Classical force fields from ab initio simulations
  • Coarse-grain force fields from all atoms models
  • Continuous solvent models from molecular simulations
  • From the pore scale to the macroscopic sample scale

Electrical fluctuations: a source of microscopic information
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  • NMR relaxation time and electric field gradient fluctuations
  • Charge fluctuations in capacitors

See online : Publication list