Modelling the Self-Assembly of Gold Nanorods

The project will entail the computer simulation of self-assembly at the nanoscale. Gold nanoparticles, typically of rod-like or cubic shape, coated with polymers or biomolecules such as DNA, will spontaneously assemble into membranes and other structures. These nanomaterials have unusual properties, which make them useful in nano-photonic devices, and sensors. However, there is an incomplete understanding of the factors that lead to optimum properties: for example, the size and shape of the particles, the nature of the coating, solvent quality. Unlike conventional fabrication methods, temperature-induced fluctuations may play a critical role in the process of formation, and accordingly, this area is often called "soft matter physics". This PhD project will use Monte Carlo simulations on high-performance computers to obtain a better insight into the influence of interactions at the nanoscale on the self-assembly process and the properties of the final structure. The work will involve close collaboration with an experimental group at Monash university, and will make use of excellent computing facilities at Warwick. The project would suit a student with some experience of computer programming, and an interest in statistical mechanics.