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


Recent Announcements

Shobha Sharma, Waruni V. Karunaratne, Fei Wu, congratulations one more time, your Chemical Science paper just got picked up by C&En! 5/28/2021

Amith, Juan Carlos congratulations on your accepted JPC B article! 5/28/2021

Shobha Sharma, Fei Wu, congratulations in the joint work recently published in JPC B that explains long time controversies about MgCl2 5/28/2021

Shobha Sharma, Alex Ivanov, congratulations on our recently accepted JPC B Perspectives article comparing Ionic Liquids and Molten Salts. 5/28/2021

Shobha Sharma, Waruni V. Karunaratne, Fei Wu congratulations again, your Chemical Science paper just got selected as a Chem Sci Pick!  4/30/2021

Shobha Sharma, Waruni V. Karunaratne, Fei Wu congratulations to all of you. The MSEE collaborative paper on differential PDFs just got accepted in Chemical Science! 4/26/2021

Congratulations on two defenses in one week! Amith and Waruni successfully defended their dissertation this week. I am proud of both of you! 4/16/2021

Fei Wu (now Professor Fei Wu), gets a job at Lanzhou University. Congratulations!!

Fei, Shobha, PCCP paper selected to the 2020 HOT PCCP article list and selected for cover article! Congratulations to Santanu and the whole MSEE team!

Shobha, Matt, Fei, you are on a roll! Congratulations on your breakthrough SEM-Drude model paper being accepted in JPC A! Another  MSEE publication. 


  • Claudio J. Margulis

    Claudio J. Margulis