Claudio J Margulis

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 25

Top Topics

Density Functional Theory

High Temperature

Top Venues

The journal of physical chemistry. B

The journal of physical chemistry letters

The Journal of chemical physics

Journal of the American Chemical Society

This page only lists publications with an associated author ORCID identifier.

Publications

Matthew S Emerson, Aleksandr S Ivanov, Leighanne C Gallington, Dmitry S Maltsev, Phillip W Halstenberg, Sheng Dai, Santanu Roy, Vyacheslav S Bryantsev, Claudio J Margulis
Heterogeneous Structure, Mechanisms of Counterion Exchange, and the Spacer Salt Effect in Complex Molten Salt Mixtures Including LaCl 3 . The journal of physical chemistry. B (2024)
Matthew S Emerson, Aleksandr S Ivanov, Leighanne C Gallington, Dmitry S Maltsev, Phillip W Halstenberg, Sheng Dai, Santanu Roy, Vyacheslav S Bryantsev, Claudio J Margulis
Heterogeneous Structure, Mechanisms of Counterion Exchange, and the Spacer Salt Effect in Complex Molten Salt Mixtures Including LaCl 3 . The journal of physical chemistry. B 128 (16) (2024)
Matthew S Emerson, Aleksandr S Ivanov, Leighanne C Gallington, Dmitry S Maltsev, Phillip W Halstenberg, Sheng Dai, Santanu Roy, Vyacheslav S Bryantsev, Claudio J Margulis
Heterogeneous Structure, Mechanisms of Counterion Exchange, and the Spacer Salt Effect in Complex Molten Salt Mixtures Including LaCl 3 . The journal of physical chemistry. B 128 (16) (2024)
Matthew S Emerson, Raphael Ogbodo, Claudio J Margulis
Spiers Memorial Lecture: From cold to hot, the structure and structural dynamics of dense ionic fluids. Faraday discussions (2024)
Matthew S Emerson, Aleksandr S Ivanov, Leighanne C Gallington, Dmitry S Maltsev, Phillip W Halstenberg, Sheng Dai, Santanu Roy, Vyacheslav S Bryantsev, Claudio J Margulis
Heterogeneous Structure, Mechanisms of Counterion Exchange, and the Spacer Salt Effect in Complex Molten Salt Mixtures Including LaCl 3 . The journal of physical chemistry. B 128 (16) (2024)
Hung H Nguyen, Vyacheslav S Bryantsev, Claudio J Margulis
Are High-Temperature Molten Salts Reactive with Excess Electrons? Case of ZnCl 2 . The journal of physical chemistry. B (2023)
Raphael Ogbodo, Waruni V Karunaratne, Gobin Raj Acharya, Matthew S Emerson, Mehreen Mughal, Ho Martin Yuen, Nicole Zmich, Shameir Nembhard, Furong Wang, Hideaki Shirota, Sharon I Lall-Ramnarine, Edward W Castner, James F Wishart, Andrew J Nieuwkoop, Claudio J Margulis
Structural Origins of Viscosity in Imidazolium and Pyrrolidinium Ionic Liquids Coupled with the NTf 2 - Anion. The journal of physical chemistry. B (2023)
Bichitra Borah, Gobin Raj Acharya, Diana Grajeda, Matthew S Emerson, Matthew A Harris, A M Milinda Abeykoon, Joshua R Sangoro, Gary A Baker, Andrew J Nieuwkoop, Claudio J Margulis
Do Ionic Liquids Slow Down in Stages? Journal of the American Chemical Society (2023)
Matthew S Emerson, Shobha Sharma, Santanu Roy, Vyacheslav S Bryantsev, Aleksandr S Ivanov, Ruchi Gakhar, Michael E Woods, Leighanne C Gallington, Sheng Dai, Dmitry S Maltsev, Claudio J Margulis
Complete Description of the LaCl 3 -NaCl Melt Structure and the Concept of a Spacer Salt That Causes Structural Heterogeneity. Journal of the American Chemical Society 144 (47) (2022)
Waruni V Karunaratne, Man Zhao, Edward W Castner, Claudio J Margulis
Vacuum Interfacial Structure and X-ray Reflectivity of Imidazolium-Based Ionic Liquids with Perfluorinated Anions from a Theory and Simulations Perspective. The journal of physical chemistry. C, Nanomaterials and interfaces 126 (32) (2022)
Fei Wu, Santanu Roy, Aleksandr S Ivanov, Simerjeet K Gill, Mehmet Topsakal, Eric Dooryhee, Milinda Abeykoon, Gihan Kwon, Leighanne C Gallington, Phillip W Halstenberg, Bobby Layne, Yoshiki Ishii, Shannon Mark Mahurin, Sheng Dai, Vyacheslav S Bryantsev, Claudio J Margulis
Correction to "Elucidating Ionic Correlations Beyond Simple Charge Alternation in Molten MgCl2-KCl Mixtures". The journal of physical chemistry letters 12 (9) (2021)
Santanu Roy, Shobha Sharma, Waruni V Karunaratne, Fei Wu, Ruchi Gakhar, Dmitry S Maltsev, Phillip W Halstenberg, Milinda Abeykoon, Simerjeet K Gill, Yuanpeng Zhang, Shannon Mark Mahurin, Sheng Dai, Vyacheslav S Bryantsev, Claudio J Margulis, Aleksandr S Ivanov
X-ray scattering reveals ion clustering of dilute chromium species in molten chloride medium. Chemical science 12 (23) (2021)
Weththasinghage D Amith, Juan C Araque, Claudio J Margulis
Relationship between the Relaxation of Ionic Liquid Structural Motifs and That of the Shear Viscosity. The journal of physical chemistry. B 125 (23) (2021)
Santanu Roy, Martin Brehm, Shobha Sharma, Fei Wu, Dmitry S Maltsev, Phillip W Halstenberg, Leighanne C Gallington, Shannon Mark Mahurin, Sheng Dai, Aleksandr S Ivanov, Claudio J Margulis, Vyacheslav S Bryantsev
Unraveling Local Structure of Molten Salts via X-ray Scattering, Raman Spectroscopy, and Ab Initio Molecular Dynamics. The journal of physical chemistry. B 125 (22) (2021)
Shobha Sharma, Aleksandr S Ivanov, Claudio J Margulis
A Brief Guide to the Structure of High-Temperature Molten Salts and Key Aspects Making Them Different from Their Low-Temperature Relatives, the Ionic Liquids. The journal of physical chemistry. B 125 (24) (2021)
Fei Wu, Shobha Sharma, Santanu Roy, Phillip W Halstenberg, Leighanne C Gallington, Shannon Mark Mahurin, Sheng Dai, Vyacheslav S Bryantsev, Aleksandr S Ivanov, Claudio J Margulis
Temperature Dependence of Short and Intermediate Range Order in Molten MgCl2 and Its Mixture with KCl. The journal of physical chemistry. B 124 (14) (2020)
Weththasinghage D Amith, Juan C Araque, Claudio J Margulis
A Pictorial View of Viscosity in Ionic Liquids and the Link to Nanostructural Heterogeneity. The journal of physical chemistry letters 11 (6) (2020)
Shobha Sharma, Matthew S Emerson, Fei Wu, Haimeng Wang, Edward J Maginn, Claudio J Margulis
SEM-Drude Model for the Accurate and Efficient Simulation of MgCl2-KCl Mixtures in the Condensed Phase. The journal of physical chemistry. A 124 (38) (2020)
Fei Wu, Santanu Roy, Aleksandr S Ivanov, Simerjeet K Gill, Mehmet Topsakal, Eric Dooryhee, Milinda Abeykoon, Gihan Kwon, Leighanne C Gallington, Phillip W Halstenberg, Bobby Layne, Yoshiki Ishii, Shannon Mark Mahurin, Sheng Dai, Vyacheslav S Bryantsev, Claudio J Margulis
Elucidating Ionic Correlations Beyond Simple Charge Alternation in Molten MgCl2-KCl Mixtures. The journal of physical chemistry letters 10 (24) (2019)
Ryan P Daly, Juan C Araque, Claudio J Margulis
Communication: Stiff and soft nano-environments and the "Octopus Effect" are the crux of ionic liquid structural and dynamical heterogeneity. The Journal of chemical physics 147 (6) (2018)
Fei Wu, Changhui Xu, Claudio J Margulis
Dynamics of an excess hole in the 1-methyl-1-butyl-pyrrolidinium dicyanamide ionic-liquid. The Journal of chemical physics 148 (19) (2018)
Juan C Araque, Claudio J Margulis
In an ionic liquid, high local friction is determined by the proximity to the charge network. The Journal of chemical physics 149 (14) (2018)
Kamal B Dhungana, Fei Wu, Claudio J Margulis
Excess Electron and Hole in 1-Benzylpyridinium-Based Ionic Liquids. The journal of physical chemistry. B 121 (37) (2017)
Kamal B Dhungana, Claudio J Margulis
Comparison of the Structural Response to Pressure of Ionic Liquids with Ether and Alkyl Functionalities. The journal of physical chemistry. B 121 (28) (2017)
Jeevapani J Hettige, Weththasinghage D Amith, Edward W Castner, Claudio J Margulis
Ionic Liquids with Symmetric Diether Tails: Bulk and Vacuum-Liquid Interfacial Structures. The journal of physical chemistry. B 121 (1) (2016)