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of next-generation antimicrobial materials. The role will involve performing molecular dynamics simulations and computational modelling to investigate interactions between biomolecules, materials, and
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of next-generation antimicrobial materials. The role will involve performing molecular dynamics simulations and computational modelling to investigate interactions between biomolecules, materials, and
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structural and functional data, will present new routes to improved control of spores. You will use modelling and simulation tools to perform molecular dynamics simulations of SleB and of some of its partner
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interactions, supporting the design of next-generation antimicrobial materials. The role will involve performing molecular dynamics simulations and computational modelling to investigate interactions between
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applicant will be a recognised expert in molecular dynamics simulation involving modelling of mineral lattices undergoing perturbations from an external source, and will possess sufficient specialist
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an advantage if you have Experience with advanced simulation techniques for materials research, such as molecular dynamics, coarse-grained modeling, Monte Carlo, and quantum methods. Knowledge of machine
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modeling and simulations, including density functional theory (DFT), molecular dynamics (MD), or ab initio molecular dynamics (AIMD), to investigate polyamide interfacial polymerization, interfacial
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interatomic potential to incorporate materials response . Resulting models are implemented in LAMMPS and are used to perform ML-accelerated large-scale dynamics simulations to investigate the evolution
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, pharmacophore modelling, and molecular dynamics simulations to design novel GPR84 ligands with predictable signalling bias profiles. About the person: The successful candidate must have, and your application
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, perform simulation studies, and apply developed methods to empirical datasets. The positions do not involve any lab work. The work includes mathematical modeling, algorithm development, statistical analysis