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, there is no consensus on the adsorption mechanisms of these molecules on the metallic surfaces. In this PhD project we will use state-of-art molecular simulation methods [2,3] to clarify the adsorption and
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modelling of laser shock peening. Molecular Dynamics (MD) and Finite Element (FE) simulations will be combined to account for the complex physical phenomena and their different scales. The interdependence
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. Experience with molecular dynamics software such as LAMMS is desirable. Experience with molecular simulation software is beneficial. To apply please contact Dr Siperstein - flor.siperstein@manchester.ac.uk
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as ligands. The fundamental science behind the selective enrichment of lithium-6 by solvent extraction is poorly understood. This project will combine molecular quantum mechanics and molecular dynamics
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, making a new model which is suitable for a variety of polymer systems. This will involve integrating molecular dynamics simulations, electronic structure calculations, and machine learning techniques