Smart Nano-objects for Alteration of Lipid bilayers (SNAL) Initial Training Network is a multidisciplinary EU-funded 7th Framework Programme specially designed to provide scientific and transferable skill training and career development for early stage researchers and experienced researchers in the field of lipid research.

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ESR3-D: Monte Carlo simulations of lipid membranes and their interactions with copolymers

Theoretical physics, theory in soft matter, computer simulations

Contact

Ankush Checkervarty

Objectives

The challenge of this project is to rationalize the inter effective interactions between amphiphilic copolymers and self-organized lipid bilayer membranes using coarse-grained Monte Carlo methods:

  • Analyze the effect of many copolymers interacting with a fluctuating membrane
  • Finding copolymer sequences which match particular tasks such as increasing permeation or disruption
  • Simulating membranes with internal stiffness to understand the role of phases in membrane-polymer-interactions

Tasks and methodology

Implementing simulation methods (BFM) for membrane-polymer systems based on existing framework and using GPU-code.  Using evolutionary methods to search for optimal copolymer sequences.  Developing analytical, mean field and scaling methods for the different localization and adsorption scenarios of copolymers at membranes. Implementing effective interactions based on molecular dynamics simulations

Starting date

October 2014

Related research topics

Ankush Checkervarty

MSCA Early Stage Researcher at Institut für Polymerforschung Dresden, Germany. Molecular Carlo simulations of lipid membranes more...
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