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 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 as well as at interfaces, the interpretation of spectroscopic properties of solutes and excess electrons dissolved in these liquids as well as charge transfer and transport. We also are very interested in high-temperature molten salts. Some of our projects involve theoretical work, whereas other projects heavily rely on high performance computing.

The below links are to articles found by search engines (may have innacuracies)

Link to my Google Scholar page

ORCID iD iconhttps://orcid.org/0000-0003-1671-9784


Postdoc Position Available

For a recently funded grant, I am looking for a postdoc that knows CP2K well (or other similar software), but that is also well rounded with theory in general to study excess electrons in ionic liquids.


Recent Announcements

Bichitra Borah, your first paper got published today in JACS Communications. What a way to start publishing as a first author! 11/14/2023

Hung's paper is Trending, check it out in the press!

Congratulations Hung Nguyen and co-authors on your first paper that just got accepted in JPC B on the reactivity of electrons with molten salts! 8/29/23

Congratulations Raphael Ogbodo and co-authors on your first paper that just got accepted in JPC B on the viscosity of ionic liquids! 6/23 

Matt Emerson, congratulations on your first author JACS paper "Complete Description of the LaCl3-NaCl Melt Structure and the Concept of a Spacer Salt that Causes Structural Heterogeneity" 1/11/22



  • Claudio J. Margulis

    Claudio J. Margulis