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

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

Waruni congratulations for getting your paper on reflectivity of ionic liquids with different fluoroalkyl anions accepted in JPC C! 7/27/2022

JC, Amith, congratulations again for making the cover of the first edition of the Journal of Ionic liquids! 2022

Congratulations Amith and JC for your paper in Journal of Ionic Liquids! 2022

Shobha Sharma, Waruni V. Karunaratne, congratulations! Your paper on reflectivity of molten salts in the 125th anniversary of JPC made it to the top 5 most read in Nov 2021. 

Margulis member of the editorial board of the Journal of Ionic Liquids, 2021

Waruni V. Karunaratne, Shobha Sharma, congratulations on that massive piece of work on Reflectivity of salts under applied potentials that just got accepted today in JPC C! 10/15/2021

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!!



  • Claudio J. Margulis

    Claudio J. Margulis