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Field
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interpret the ageing results obtained from the experiments as well as to identify potential new ageing markers. Computational chemical modelling which also called Molecular Dynamic (MD) simulation is becoming
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-up of pure polymers and composites under high temperatures and fast heating rates through molecular dynamic simulations. For a position as a PhD Candidate, the goal is a completed doctoral education up
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investigate the thermal break-up of pure polymers and composites under high temperatures and fast heating rates through molecular dynamic simulations. For a position as a PhD Candidate, the goal is a completed
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research will involve a combination of quantum and molecular dynamics simulations as well as electronic structure calculations with some similarities to earlier work on charge and excitation energy
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/electrolyte interface for organic (in the case of calcium and magnesium) or aqueous (in the case of zinc) electrolytes using classical molecular dynamics under the effect of an applied field [2] (as it is done
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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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imposed pressure on the behavior of a polycrystalline material in the context of diffusion welding. In this work, we will combine molecular dynamics and level-set methods to study the motion of GBs and
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. The problem with classical molecular dynamics is that for molecules of this size atomistic simulations can be done on the time scale of picoseconds but the time scale of important biological processes such as
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for Solving Real-World Problems Using Quantum Dynamics: Coherent States for Molecular Simulations (COSMOS). It will be based in Prof. Thomas Penfold’s Theory and Computational Chemistry research group
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This project will apply quantum chemistry and molecular dynamics simulations to the study of Hofmeister and specific ion effects in complex electrolytes, including non-aqueous solvents, deep