Developing Accurate Structural Models and Transferable Potentials for Multicomponent Glasses using Dissolve.

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Dissolve is a new code for simulating and interrogating total scattering data. It implements and builds upon the methodology of Empirical Potential Structure Refinement (EPSR) to provide next-generation simulation of multi-scale systems. However, while EPSR is used widely by the liquids community, it has not been extensively taken up by glass researchers. This PhD project will focus on adapting the code for Dissolve to improve its suitability for use by glass scientists, to better support the glass research program at ISIS.