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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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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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expertise in methods such as machine-learning force-fields for spinful materials, or multi-fidelity Bayesian models that can learn machine-learning force-fields along with effective spin Hamiltonians from ab
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