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generating fusion energy. This research will focus on the chemical speciation and transport of tritium in the molten salt blankets using ab initio quantum simulations, machine learning potentials, and
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the ionization process and the resulting correlations. Confront the measurements with the ab initio and analytical strong-field theory developed by the UCL partner group, closing the loop between experiment and
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constant-potential simulations, explicit-solvent methods, ab initio molecular dynamics or electrochemical-interface modelling. Pre-employment checks and declarations Your employment is conditional upon
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execution of ab-initio modelling of surface and solution phase reactions, and analysis of the probability of different reactive channels. You will be a well-organised and self-motivated scientist who enjoys
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chemical phenomena using contemporary computational and theoretical methods. We employ and extend ab initio quantum chemistry to understand and predict structure and reactivity in the ground and electronic
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at understanding chemical phenomena using contemporary computational and theoretical methods. We employ and extend ab initio quantum chemistry to understand and predict structure and reactivity in the ground and
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; previous experience as local contact at synchrotron XAS beamlines; knowledge of advance characterization techniques like XANES simulation and ab initio calculations (e.g. DFT). Good time management skills
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and machine-learning potentials for planetary materials. Curating and generating large-scale ab initio datasets across wide pressureâ“temperature regimes. Designing and training advanced machine
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background in using the most advanced ab-initio methods to examine electronic, topological and magnetic properties of advanced materials, their defects and their interphases. The incumbent will have
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well as with theoretical researchers specializing in atomistic simulation, density functional theory (DFT), and ab initio molecular dynamics (AIMD). The successful candidate will also engage with collaborators