We use Molecular Dynamics simulation techniques to understand the interaction of like-charged weak polyelectrolytes in aqueous solutions. We use umbrella sampling methods to calculate the potential of mean force between a pair of like-charged polyelectrolytes. We also study the interaction of macromolecules, such as surfactants and protein molecules, with liquid crystals. We try to explore the non-bonded interactions between these molecules, which provide molecular insights into our experimentally observed phenomenon.

Additionally, we also investigate the ordering of CNTs in graphene-CNT hybrid nanostructures via electrostatic self-assembly.