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simulations techniques such as molecular dynamics and/or Monte Carlo simulations. The project will initially be expected to focus on diffusion and solubility of gases in model polymers, though other material
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will use numerical quantum mechanics, molecular dynamics and extended time scale techniques. The project will utilise high performance computing (HPC) systems at Loughborough and nationally
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simple coating using state-of-the-art computational approaches including molecular dynamics and free energy calculations to unravel the fundamental science behind the causes of blush. This project crosses
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understanding and theoretical models for nanobubble cavitation dynamics using Molecular Dynamics (MD) and/or Computational Fluid Dynamics (CFD) simulations, specifically modelling the external pressure threshold
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, Phase field simulations, Model and code development, Interfacial properties using Molecular Dynamics methods, Binarisation techniques, Texture development modelling, Experimental validation using state
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energy related applications such as carbon capture or shale gas exploration. In this project we will use a novel combination of molecular dynamics and grand canonical montecarlo simulations [1] and state
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electrolytes (oxides, sulfides and halides) and their nano/microstructures using a combination of density functional theory, classical molecular dynamics and other complimentary computational methods. Solid