ESR2-T: Molecular simulation models of biomimetic polymers in lipid bilayers

Theoretical physics, theory in soft matter, computer simulations


Adrien Berthault


The aim of this project is to understand the interactions of lipid membranes with nano-objects including functional biomimetic polymers, polymeric micelles, carbon nanotubes and polymer therapeutic complexes/conjugates to enable the intelligent design of novel materials with improved bilayer modifying properties. A full range of theoretical methods will be employed to improve our understanding of interactions between phospholipid bilayers and nano-objects.  Construction of molecular models biomimetic polymers interacting with lipid bilayers. Combination of Monte Carlo with SCMF theory to study equilibrium and kinetics. Application of the models to study permeation of lipid bilayers by amphiphilic polymers and rupture of the bilayers.

Tasks and methodology

  • Implementation of a hybrid Single Chain Mean Field theory with Monte Carlo simulations
  • Construction of the models for polymer – bilayer interactions

Starting date

October 2014

Related research topics

Adrien Berthault

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