• Apr 24 2014 - 12:30pm, C131 Pomerantz Center

    Mund-Lagowski Department of Chemistry and Biochemistry, Bradley University

    "Rethinking “Sustainable” and “Renewable”: Functional Bioplastics Composites from Natural Substrates"

  • Apr 24 2014 - 12:30pm, W268 Chemistry Building

    Department of Chemistry, University of Iowa

    "Membranes in Organic Chemistry: Reactions, Separations, and the Evolution to the Nanoscale"

  • Apr 25 2014 - 9:00am, Chemistry Building, Room W323

    Department of Chemistry, University of Iowa

    Dioxygen Activation with Bis(arylimino)pyridine Radical Anion Complexes of Nickel

Research in the Margulis group is theoretical and computational in nature. Areas of interest include (1) The structure, dynamics and reactivity of room-temperature ionic-liquids and molecules dissolved in them; with some current projects being the development of theoretical tools to better interpret x-ray data in the liquid phase, the interpretation of spectroscopic properties of solutes and excess electrons dissolved in these liquids as well as charge transfer and transport. (2) Another research area is related to the interaction between complex oligosaccharides and their binding proteins partners; with current projects involving the prediction of free energies of binding. Some of our projects involve mostly theoretical work, whereas other projects heavily rely on high performance computing.