Our research focuses on theoretical and computational studies of different condensed phase and interfacial systems.

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.


Recent News

  • One of Jeeva's papers highlighted as most cited/most read by JCP Communications. This is the U. of I. highlight.
  • Waruni Hapuarachchige Dona joined the group. Welcome Waruni!
  • Juan Carlos Araque is now Prof. Araque at Benedictine College. 
  • Zhen Li graduates with Ph.D. Congratulations Zhen! 5/16
  • Claudio J. Margulis

    Claudio J. Margulis