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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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, reinforcement learning, monte-carlo tree-search, causal ML etc. Design, develop, and validate interpretable cross-modal AI/ML models incorporating features from electronic structure theory for predictive
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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
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