The group's research using computational methods to investigate the behaviour of soft matter systems, such as liquids, liquid crystals, and polymers. These are fascinating systems, combining many of the characteristics of solids (order and structure) and liquids (fluidity), which gives them a wide range of applications ranging from personal care products, foods, and advanced materials such organic electronics. These characteristics are also common to most biological systems and the group's research increasingly focsed on problems in biophysics and the application of biomolecules in technological applications.

 

Examples of soft interfaces found in everyday life - soap bubbles (left) and vinaigrette (right)

Much of our research focuses on the study of soft interfaces, such as those between immiscible fluids (e.g. oil-water or air-water interfaces), membranes, and soft surfaces. These systems are ubiquitous, occurring in many areas of science and technology, and scientifically fascinating. By their very nature these are complex systems, containing many different chemical components and the properties of these systems can vary over nanometre lengthscales, so their behaviour is rooted in molecular scale properties. We're particularly interested in understanding processes such as adsorption, assembly, and synthesis at soft interfaces - essentially trying to understand how we can use these systems to create novel, functional materials.

  

Molecular simulation

To do this we study these systems using molecular simulations – using computational methods to model these systems on the molecular level. As these are performed at the nanoscale this gives us a molecular level description of these systems, allowing us to link the properties of these systems to the structures of the constituent molecules.

We use a range of machines, from humble desktop PCs, dedicated servers, and national supercomputers, such as the Fionn clusters based at the Irish Centre for High End Computing.

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