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- NORWEGIAN UNIVERSITY OF SCIENCE & TECHNOLOGY - NTNU
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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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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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, 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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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
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should allow us to treat bigger molecular systems faster and more accurately. This project is focused on quantum wave packet dynamics. Chemical dynamics is about rearranging nuclei whose motion is often
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solve open-ended research problems is essential. Desirable qualifications include knowledge in physical chemistry, molecular simulation techniques, programming, and UNIX-based operative systems
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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