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, you will generate datasets from electronic structure theory calculations using Quantum ESPRESSO, Wannier90, and EPW. You will apply the developed E(3)-equivariant AI framework to quantify band
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reactivity on surfaces, with direct industrial and societal relevance? Do you enjoy research, and does the prospect of using simulations and theory to inform and guide experiments motivate you? We are now
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₂, MoSe₂, WSe₂, and WTe₂. For training the machine learning models, you will generate datasets from electronic structure theory calculations using Quantum ESPRESSO, Wannier90, and EPW. You will apply
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