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E. Maginn · SciRah

Researcher profile · Semantic Scholar

E. Maginn

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E. Maginn — researcher profile on SciRah

h-index: 81
Works: 339
Citations: 25K

Most-cited papers

Beyond Local Solvation Structure: Nanometric Aggregates in Battery Electrolytes and Their Effect on Electrolyte Properties
Zhou Yu, N. Balsara, O. Borodin, A. Gewirth +9 more
2021ACS Energy Letters176 citations
Semantic Scholar
Liquid Structure and Transport Properties of the Deep Eutectic Solvent Ethaline.
Yong Zhang, Derrick Poe, L. Heroux, Henry Squire +6 more
2020Journal of Physical Chemistry B118 citations Open access
Semantic Scholar
Evolution of microscopic heterogeneity and dynamics in choline chloride-based deep eutectic solvents
Stephanie Spittle, Derrick Poe, Brian Doherty, Charles Kolodziej +18 more
2022Nature Communications115 citations Open access
Semantic Scholar
Water-in-Salt LiTFSI Aqueous Electrolytes. 1. Liquid Structure from Combined Molecular Dynamics Simulation and Experimental Studies.
Yong Zhang, Nicholas H. C. Lewis, J. Mars, Gang Wan +7 more
2021Journal of Physical Chemistry B107 citations
Semantic Scholar
Functionalized Phosphonium Cations Enable Zn Metal Reversibility in Aqueous Electrolytes.
Lin Ma, T. Pollard, Yong Zhang, M. Schroeder +9 more
2021Angewandte Chemie95 citations
Semantic Scholar
Water or Anion? Uncovering the Zn2+ Solvation Environment in Mixed Zn(TFSI)2 and LiTFSI Water-in-Salt Electrolytes
Yong Zhang, Gang Wan, Nicholas H. C. Lewis, J. Mars +9 more
2021ACS Energy Letters72 citations
Semantic Scholar
Solvation Dynamics of Wet Ethaline: Water is the Magic Component.
Ibrahim Alfurayj, C. Fraenza, Yong Zhang, Rathiesh R. Pandian +9 more
2021Journal of Physical Chemistry B67 citations Open access
Semantic Scholar
Water-In-Salt LiTFSI Aqueous Electrolytes (2): Transport Properties and Li+ Dynamics Based on Molecular Dynamics Simulations.
Yong Zhang, E. Maginn
2021Journal of Physical Chemistry B64 citations
Semantic Scholar
Machine Learning Directed Optimization of Classical Molecular Modeling Force Fields
Bridgette J. Befort, Ryan S. DeFever, Garrett M. Tow, A. Dowling +1 more
2021Journal of Chemical Information and Modeling62 citations Open access
Semantic Scholar
Effect of Antisolvent Additives in Aqueous Zinc Sulfate Electrolytes for Zinc Metal Anodes: The Case of Acetonitrile
Stefan Ilic, Michael J. Counihan, S. Lavan, Yingjie Yang +12 more
2023ACS Energy Letters54 citations Open access
Semantic Scholar
Ionic Liquids for the Separation of Fluorocarbon Refrigerant Mixtures.
Kalin R. Baca, Karim S. Al-Barghouti, Ning Wang, Madelyn G. Bennett +15 more
2024Chemical Reviews48 citations
Semantic Scholar
Exchange-Mediated Transport in Battery Electrolytes: Ultrafast or Ultraslow?
Bogdan Dereka, Nicholas H. C. Lewis, Yong Zhang, Nathan T. Hahn +4 more
2022Journal of the American Chemical Society43 citations Open access
Semantic Scholar
Phase Equilibria and Diffusivities of HFC-32 and HFC-125 in Ionic Liquids for the Separation of R-410A
Kalin R. Baca, Greta M. Olsen, Lucia Matamoros Valenciano, Madelyn G. Bennett +6 more
2021ACS Sustainable Chemistry and Engineering38 citations
Semantic Scholar
Open‐source molecular modeling software in chemical engineering focusing on the Molecular Simulation Design Framework
P. Cummings, Clare McCabe, C. Iacovella, Á. Lédeczi +13 more
2020AIChE Journal37 citations Open access
Semantic Scholar
Sigma profiles in deep learning: towards a universal molecular descriptor.
Dinis O. Abranches, Yong Zhang, E. Maginn, Yamil J. Colón
2022Chemical Communications35 citations Open access
Semantic Scholar
Refined Classical Force Field for Choline Chloride and Ethylene Glycol Mixtures over Wide Composition Range
Yong Zhang, Henry Squire, Burcu E. Gurkan, E. Maginn
2022Journal of Chemical and Engineering Data33 citations Open access
Semantic Scholar
From Networked to Isolated: Observing Water Hydrogen Bonds in Concentrated Electrolytes with Two-Dimensional Infrared Spectroscopy.
Nicholas H. C. Lewis, Bogdan Dereka, Yong Zhang, E. Maginn +1 more
2022Journal of Physical Chemistry B30 citations
Semantic Scholar
Deep Eutectic Solvents: A New Class of Versatile Liquids.
Burcu E. Gurkan, E. Maginn, Emily B. Pentzer
2020Journal of Physical Chemistry B30 citations
Semantic Scholar
Structure and Dynamics of Hydrofluorocarbon/Ionic Liquid Mixtures: An Experimental and Molecular Dynamics Study.
Ning Wang, Yong Zhang, Karim S. Al-Barghouti, Rajkumar Kore +2 more
2022Journal of Physical Chemistry B27 citations
Semantic Scholar
A Nitroxide Containing Organic Molecule in a Deep Eutectic Solvent for Flow Battery Applications
N. Sinclair, Derrick Poe, R. Savinell, E. Maginn +1 more
202125 citations Open access
Semantic Scholar
The SEM-Drude Model for the Accurate and Efficient Simulation of MgCl2-KCl Mixtures in the Condensed Phase.
Shobha Sharma, Matthew S. Emerson, Fei Wu, Haimeng Wang +2 more
2020Journal of Physical Chemistry A24 citations
Semantic Scholar
Chain length and OH-Spacing effects on Diol-Based Deep eutectic solvents
Rathiesh R. Pandian, Daniel Kim, Yong Zhang, Ibrahim Alfurayj +3 more
2023Journal of Molecular Liquids23 citations Open access
Semantic Scholar
Structure and dynamics of the molten alkali-chloride salts from an X-ray, simulation, and rate theory perspective.
Santanu Roy, Fei Wu, Haimeng Wang, A. S. Ivanov +14 more
2020Physical Chemistry, Chemical Physics - PCCP20 citations
Semantic Scholar
LLMs4All: A Review of Large Language Models Across Academic Disciplines
Yan-Fang Ye, Zhe-Yuan Zhang, Tian-Yi Ma, Ze-Hong Wang +25 more
202519 citations
Semantic Scholar
Combining High-Throughput Experiments and Active Learning to Characterize Deep Eutectic Solvents
Dinis O. Abranches, William Dean, Miguel Muñoz, Wei Wang +4 more
2024ACS Sustainable Chemistry and Engineering19 citations Open access
Semantic Scholar
Boosting Graph Neural Networks with Molecular Mechanics: A Case Study of Sigma Profile Prediction.
Dinis O. Abranches, E. Maginn, Yamil J. Colón
2023Journal of Chemical Theory and Computation19 citations
Semantic Scholar
Ammonium enables reversible aqueous Zn battery chemistries by tailoring the interphase
Lin Ma, T. Pollard, Yong Zhang, M. Schroeder +16 more
2022One Earth19 citations Open access
Semantic Scholar
Influence of an N,N,N-Trimethyl-1-adamantyl Ammonium (TMAda+) Structure Directing Agent on Al Distributions and Pair Features in Chabazite Zeolite
Xiaoyu Wang, Yu-Jia Wang, A. Moini, Rajamani Gounder +2 more
2021Chemistry of Materials19 citations Open access
Semantic Scholar
Achieving Reproducibility and Replicability of Molecular Dynamics and Monte Carlo Simulations Using the Molecular Simulation Design Framework (MoSDeF)
Nicholas C. Craven, Ramanish Singh, Co D. Quach, Justin B. Gilmer +18 more
2025Journal of Chemical and Engineering Data18 citations
Semantic Scholar
GAFF-Based Polarizable Force Field Development and Validation for Ionic Liquids.
Ning Wang, E. Maginn
2024Journal of Physical Chemistry B18 citations
Semantic Scholar
Interaction Between Endocrine Disruptors and Polyethylene Nanoplastic by Molecular Dynamics Simulations.
Y. M. Oliveira, N. S. Vernin, Yong Zhang, E. Maginn +1 more
2024Journal of Physical Chemistry B17 citations
Semantic Scholar
Machine Learning-Enabled Development of Accurate Force Fields for Refrigerants.
Ning Wang, Montana N. Carlozo, Eliseo Marin-Rimoldi, Bridgette J. Befort +2 more
2023Journal of Chemical Theory and Computation17 citations
Semantic Scholar
Impact of anion shape on Li+ solvation and on transport properties for lithium-air batteries: a molecular dynamics study.
Juliane Fiates, Yong Zhang, L. F. Franco, E. Maginn +1 more
2020Physical Chemistry, Chemical Physics - PCCP14 citations Open access
Semantic Scholar
Stochastic machine learning via sigma profiles to build a digital chemical space
Dinis O. Abranches, E. Maginn, Yamil J. Colón
2024Proceedings of the National Academy of Sciences of the United States of America13 citations Open access
Semantic Scholar
Activity coefficient acquisition with thermodynamics‐informed active learning for phase diagram construction
Dinis O. Abranches, E. Maginn, Yamil J. Colón
2023AIChE Journal13 citations
Semantic Scholar
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.
Fernando J. Carmona Esteva, Yong Zhang, Yamil J. Colón, E. Maginn
2023Journal of Physical Chemistry B12 citations
Semantic Scholar
Alchemical Free Energy and Hamiltonian Replica Exchange Molecular Dynamics to Compute Hydrofluorocarbon Isotherms in Imidazolium-Based Ionic Liquids.
Ning Wang, Ryan S. DeFever, E. Maginn
2023Journal of Chemical Theory and Computation11 citations
Semantic Scholar
Lithium Solvation and Mobility in Ionic Liquid Electrolytes with Asymmetric Sulfonyl-Cyano Anion
Drace Penley, Xiaoyu Wang, Yun-Yang Lee, M. Garaga +4 more
2022Journal of Chemical & Engineering Data11 citations Open access
Semantic Scholar
MoSDeF Cassandra: A complete Python interface for the Cassandra Monte Carlo software
Ryan S. DeFever, Ray A. Matsumoto, A. Dowling, P. Cummings +1 more
2021Journal of Computational Chemistry10 citations
Semantic Scholar
Cross-Linking Methodology for Fully Atomistic Models of Hydroxyl-Terminated Polybutadiene and Determination of Mechanical Properties
Garrett M. Tow, E. Maginn
202110 citations
Semantic Scholar
Data science for thermodynamic modeling: Case study for ionic liquid and hydrofluorocarbon refrigerant mixtures
Bridgette J. Befort, A. Garciadiego, Jialu Wang, Ke Wang +3 more
2023Fluid Phase Equilibria9 citations Open access
Semantic Scholar
Assessment and Ranking of Difluoromethane (R32) and Pentafluoroethane (R125) Interatomic Potentials Using Several Thermophysical and Transport Properties Across Multiple State Points
Barnabas Agbodekhe, Eliseo Marin-Rimoldi, Yong Zhang, A. Dowling +1 more
2023Journal of Chemical & Engineering Data8 citations Open access
Semantic Scholar
Molecular dynamics study of the ionic liquid 1-n-hexyl-3-methylimidazolium tris(pentafluoroethyl)trifluorophosphate ([C<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si1.svg"><mml:msub><mml:mrow /><mml:mn>6</mml:mn></mml:msub></mml:math>C<mml:math xmlns:mml="http://www.w3.org/1998/
Ning Wang, Yong Zhang, E. Maginn
2022Journal of Ionic Liquids8 citations Open access
Semantic Scholar
Symmetry versus asymmetry game in vaporization enthalpies of imidazolium-based ionic liquids
S. Verevkin, D. Zaitsau, R. Nagrimanov, Yong Zhang +2 more
2023Journal of Molecular Liquids7 citations Open access
Semantic Scholar
Solvation Structure, Dynamics, and Charge Transfer Kinetics of Cu2+ and Cu+ in Choline Chloride Ethylene Glycol Electrolytes.
Yong Zhang, Jeffrey M. Klein, R. Akolkar, Burcu E. Gurkan +1 more
2022Journal of Physical Chemistry B7 citations
Semantic Scholar
Structural and Dynamic Heterogeneity of Deep Eutectic Solvents Composed of Choline Chloride and Ortho-Phenol Derivatives.
Derrick Poe, Dinis O. Abranches, Xiao-Yu Wang, Jeffrey M. Klein +9 more
2025Journal of Physical Chemistry B6 citations Open access
Semantic Scholar
Structure and dynamics of water-in-salt LiTFSI electrolytes from first-principles molecular dynamics simulations.
Ramanish Singh, Xiaobo Lin, Yong Zhang, E. Maginn +2 more
2025Journal of Chemical Physics6 citations
Semantic Scholar
Structure of water-in-salt and water-in-bisalt electrolytes.
M. Gonzalez, H. Akiba, O. Borodin, G. Cuello +8 more
2022Physical Chemistry, Chemical Physics - PCCP6 citations Open access
Semantic Scholar
Understanding Solute-Hydrotrope Aggregation in Aqueous Solutions: A Molecular Dynamics Approach.
Esteban Cea-Klapp, Dinis O. Abranches, Eliseo Marin-Rimoldi, Nicolás F. Gajardo-Parra +3 more
2025Journal of Physical Chemistry B5 citations
Semantic Scholar
LLMs4All: A Review on Large Language Models for Research and Applications in Academic Disciplines
Yan-Fang Ye, Zhe-Yuan Zhang, Tian-Yi Ma, Ze-Hong Wang +26 more
2025arXiv.org5 citations
Semantic Scholar

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