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Field
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drag reduction in graphene with a combination of electronic structure methods and large-scale atomistic molecular dynamics (MD) powered by machine learning and high-performance computing (HPC). The first
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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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molecular dynamics simulations of its oxidation. The method will then be applied to new systems, therefore less known, with a view to predicting their behavior under oxidation
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specific emphasis on Molecular Dynamics (MD) simulations and a preference for expertise in protein-RNA simulations. We are seeking a highly motivated and qualified candidate with a strong background in
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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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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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and applications. Excellent written communication skills, as evidenced in application materials. Preferred Qualifications Experience with molecular dynamics simulations and analyses, cheminformatics
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analytics and offers a flexible environment for solving the largest and most challenging problems in computational science. Molecular dynamics simulations are very popular on PSC’s flagship supercomputer
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reported to target different virus (e.g. West Nile Virus) immunogenic epitopes. The WNV epitopes-NP complexes will be addressed within a multiscale approach including all atoms molecular dynamics, ab initio