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including the newly established Quantum Hub in Sensing, Imaging and Timing (QuSIT) and a newly awarded Royal Academy of Engineering (RAEng) Research Chair on multistatic radar systems. Finally, it will
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as ligands. The fundamental science behind the selective enrichment of lithium-6 by solvent extraction is poorly understood. This project will combine molecular quantum mechanics and molecular dynamics
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accurate reaction enthalpies and activation free energies for relevant intermediates. While quantum chemical predictions typically can provide sufficient accuracy of prediction (~1kcal/mol error
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learning potentials) and analytical calculation methods (quantum dynamics) to develop robust methods for predicting and interpreting observables from XFEL experiments. Methodologies developed be applicable