Abstract

Over the past several years, we have used molecular dynamics simulations to investigate a wide variety of nanoparticles formed by soft matter ranging from surfactants to lipids to polymers to peptides. Our investigations have been driven by understanding the internal and interfacial structure of the various formulations we have investigated, so that we could gain insight into the correlation between these properties and the function of the nanoparticle, whether that be drug delivery or biosensing. Additionally, we have investigated the interactions of these nanoparticles with their environments including with lipid membranes. In doing so, we have developed various tools to build and analyse these simulations. In this talk I will present a selection of these investigations and the tools that we have created to provide the insight that we have obtained.

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