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Development, validation, and distribution of external-parameter-free methods and open source codes to predict and understand the properties of functional materials, emphasizing those with strong electronic correlations, van der Waals and spin-orbit interactions.
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The overarching goal of this project is to understand the formation, behavior, and enhancement of atomic defects that can host stable and addressable quantum states.
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The overarching goal of this project is to unravel the fundamental principles for precision deconstruction of step-growth polymers using tailored ionic liquids and upcycling to novel polymers with circularity.
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The overarching goal of the proposed research is to understand and control the chemical reactions that govern hydroxylation and carbonation processes during direct air capture of CO2 using MgO.
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The overarching goal of this project is to understand and control disorder-induced changes in superconducting and topological states across atomic to mesoscopic length scales with quantum microscopies that will guide the development of emerging superconducting quantum devices.