![Encapsulation of [(SO4 )2 (H2 O)3 ]4– (left) and F(H2 O)4– (right) clusters by molecular receptors. Caption has sub and superscripts.](/sites/default/files/styles/content_carousel_style/public/ERKCC08-project.jpg?itok=WsUwbJPV "Encapsulation of [(SO4 )2 (H2 O)3 ]4– (left) and F(H2 O)4– (right) clusters by molecular receptors. Caption has sub and superscripts.")
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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.