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-QM methodology on molecule-metal interfaces by simulating surface catalytic reactions and spectroscopy. This project will directly support molecular optoelectronics design and catalyst design research
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principles molecular dynamics simulations. You will contribute to the development of novel work flows as well as to the training, testing and application of latest neural network methodologies. Applications
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function, but to develop the molecular tools the global research community needs to investigate them. This is fundamental, high-impact bioscience with the potential to unlock new therapeutic strategies
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will build on ongoing work from the group in the design, synthesis and study of functional organic macrocycles and molecular capsules and their use primarily in catalysis, but also molecular recognition
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their targets are simulated at the atomistic level. The most widely-used tool for this are molecular mechanics force fields, such as those developed by the Open Force Field Initiative [https://doi.org
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interatomic-potentials (MLIPs), refined for molten salt mixtures hosting other nuclear material solutes. We will perform density functional theory (DFT) calculations and molecular dynamics (MD) simulations
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the genetic, molecular, cellular, and whole systems level. Cross-cutting strengths lie in our world-leading expertise in neuroplasticity, interdisciplinary neuro-immune research, high-throughput sequencing
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to understand the risk of these abundant pollutants in the context of other co-occurring environmental stressors. The influence of ocean warming on the biouptake of nanoplastics will be explored under simulated
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-home rates. You will learn a wide range of molecular modelling techniques, as well as collaborative software development and computational skills providing expertise for a broad range of future careers
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pioneering translational machine learning neuroimaging project with a broader interest linking imaging characteristics to molecular biology and neurodevelopmental symptoms. The project is a 3 year position