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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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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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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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. 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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experience in Molecular Dynamics simulations Full details of the role and the skills and experience required, can be found in the attached job description which provided on the next page. We pride ourselves
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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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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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Oxford, as well as Imperial College London. You will focus on the development of a computational platform to accelerate our ability to engineer biology across scales – from molecular circuits to cellular
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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
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PhD Studentship: Molecular Simulations and Data-driven Modelling for Polymer Nanocomposite Membranes
towards a net-zero carbon footprint. The scientific objectives of the project can be articulated as follows: Employ molecular dynamics simulations to investigate the interaction between polymer matrices and