研究领域

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Simulation of liquid crystals and complex systems

We are the theory and simulation arm of the York Liquid Crystal Group. Our research is into the understanding of self-organising and self-assembling materials at the molecular level. By building models of molecules and using computers to simulate the behaviour of bulk systems, we can investigate how different interactions influence the phase behaviour and hence the properties of materials. The systems studied vary from small molecules which exhibit the common nematic phase used in many liquid crystal displays, to bent core molecules which exhibit biaxial phases, to large flexible supermolecules that contain a number of groups, designed to have specific properties. We are also interested in mixtures, be they polydisperse mixtures in which the components have a range of sizes, or discrete mixtures of only two or three components, such as those formed by mixing rod shaped and disc shaped molecules.