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Edward J. Maginn

Affiliations: 
Chemical and Biomolecular Engineering University of Notre Dame, Notre Dame, IN, United States 
Area:
Chemical Engineering, Molecular Chemistry, Physical Chemistry
Website:
https://engineering.nd.edu/faculty/edward-maginn/
Google:
"Edward Joseph Maginn" OR "Edward J Maginn"
Bio:

https://www.proquest.com/openview/a3e5ff0759c62b3da222fa1caebdc077/1

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Parents

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Alexis T. Bell grad student 1990-1995 UC Berkeley College of Chemistry (Chemistry Tree)
 (Molecular simulations of the dynamics and adsorption thermodynamics of hydrocarbons in zeolites)
Doros N. Theodorou grad student 1990-1995 UC Berkeley College of Chemistry (Chemistry Tree)
 (co-advisor)

Children

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David M. Eike grad student Notre Dame (Chemistry Tree)
Timothy I. Morrow grad student Notre Dame (Chemistry Tree)
Brian R. Novak grad student Notre Dame
Yiannis Kaznessis grad student 1995-1999 Notre Dame
Loukas I. Kioupis grad student 2000 Notre Dame
Michael D. Macedonia grad student 2000 Notre Dame
Gaurav Arya grad student 2003 Notre Dame (Physics Tree)
Jennifer Anthony grad student 2004 Notre Dame
Jindal K. Shah grad student 2005 Notre Dame
Cesar Cadena grad student 2006 Notre Dame
James P. Larentzos grad student 2006 Notre Dame
Manish S. Kelkar grad student 2007 Notre Dame
Saivenkataraman Jayaraman grad student 2010 Notre Dame
Craig R. Powers grad student 2011 Notre Dame
Andrew Paluch grad student 2013 Notre Dame
Marcos E. Perez-Blanco grad student 2013 Notre Dame
Akash Sharma grad student 2013 Notre Dame
Hao Wu grad student 2013 Notre Dame
Luís Fernando Mercier Franco grad student 2013-2014 (Chemistry Tree)
Samir Budhathoki grad student 2015 Notre Dame
Surya Tiwari grad student 2015 Notre Dame
Eliseo Marin-Rimoldi grad student 2017 Notre Dame
Quintin Sheridan grad student 2017 Notre Dame
Brian Yoo grad student 2017 Notre Dame

Collaborators

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Publications

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Cea-Klapp E, Abranches DO, Marin-Rimoldi E, et al. (2025) Understanding Solute-Hydrotrope Aggregation in Aqueous Solutions: A Molecular Dynamics Approach. The Journal of Physical Chemistry. B
Correa GB, Abranches DO, Marin-Rimoldi E, et al. (2024) Assessing Melting and Solid-Solid Transition Properties of Choline Chloride via Molecular Dynamics Simulations. The Journal of Physical Chemistry Letters. 11801-11805
Maerzke KA, Goff GS, Runde WH, et al. (2024) Molecular dynamics simulations of uranyl and plutonyl cations in a task-specific ionic liquid. The Journal of Chemical Physics. 161
Marin-Rimoldi E, Yancey AD, Shiflett MB, et al. (2024) Adsorption of difluoromethane (HFC-32) and pentafluoroethane (HFC-125) and their mixtures in silicalite-1: An experimental and Monte Carlo simulation study. The Journal of Chemical Physics. 161
Carmona Esteva FJ, Zhang Y, Maginn EJ, et al. (2024) Consistent and reproducible computation of the glass transition temperature from molecular dynamics simulations. The Journal of Chemical Physics. 161
Zhang Y, Carino E, Hahn NT, et al. (2023) Understanding the Surprising Ionic Conductivity Maximum in Zn(TFSI) Water/Acetonitrile Mixture Electrolytes. The Journal of Physical Chemistry Letters. 11393-11399
Wang N, Carlozo MN, Marin-Rimoldi E, et al. (2023) Machine Learning-Enabled Development of Accurate Force Fields for Refrigerants. Journal of Chemical Theory and Computation
Wang N, DeFever RS, Maginn EJ. (2023) Alchemical Free Energy and Hamiltonian Replica Exchange Molecular Dynamics to Compute Hydrofluorocarbon Isotherms in Imidazolium-Based Ionic Liquids. Journal of Chemical Theory and Computation
Carmona Esteva FJ, Zhang Y, Colón YJ, et al. (2023) Molecular Dynamics Simulation of the Influence of External Electric Fields on the Glass Transition Temperature of the Ionic Liquid 1-Ethyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide. The Journal of Physical Chemistry. B
Maginn EJ, Economou IG, Snurr RQ, et al. (2023) Tribute to Doros N. Theodorou. The Journal of Physical Chemistry. B. 127: 2639-2642
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