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fail to reach those most in need. To develop equitable and effective policy tools, further research is needed on the contexts, compositions, and mechanisms of retrofits, as well as a deeper understanding
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on the contexts, compositions, and mechanisms of retrofits, as well as a deeper understanding of the barriers preventing vulnerable communities from taking action. This PhD project proposes “grassroots retrofitting
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for the new green steels compositions, including impurities and tramp elements. These models should enable density-functional-theory (DFT) accurate large scale atomistic simulations of defects including
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