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and/or OpenMM. Experience in developing coarse-grained models, polymer models, and/or in developing and applying Molecular Dynamics and/or Monte Carlo simulations to biomolecular systems or condensed
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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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, 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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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
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, the interpretation these experiments often requires detailed quantum dynamics simulations. Such simulations are on the cusp of being able to make quantitative predictions about large molecular systems
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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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PhD in computational chemistry or related subject. Experience in molecular simulations (i.e., molecular dynamics and/or Monte Carlo methods) or liquid state theory (e.g., classical density functional
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subject. Experience in molecular simulations (i.e., molecular dynamics and/or Monte Carlo methods) or liquid state theory (e.g., classical density functional theory) is highly desirable. Potential topics
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developing this ambitious research program. The Spagnoli lab. is a highly dynamic, inclusive team, doing exciting science and member of the outstanding Centre for Gene Therapy & Regenerative Medicine at King’s
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simulations (i.e., molecular dynamics and/or Monte Carlo methods) or liquid state theory (e.g., classical density functional theory) is highly desirable. Potential topics of research include: Understanding