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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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, implementation and application of ab-initio electronic structure and their application to solid state systems. Proficient skills in common scientific programming languages such as C/C++ and Fortran Experience in
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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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in multiscale and multifidelity simulation techniques (ab initio methods at different fidelity, machine learning tight-binding, machine learning force fields, phase-field modeling, and/or kinetic monte