Edward J Maginn (Edward Maginn)

ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 60

Top Venues

The journal of physical chemistry. B

The Journal of chemical physics

Chemical reviews

The journal of physical chemistry. A

University of Notre Dame

University of California Berkeley (PHD)

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

Affiliation History

University of Notre Dame

United States

Professor :: Chemical and Biomolecular Engineering

Procter and Gamble

United States

Engineer

Education History

University of California Berkeley

United States

PHD

Iowa State University

United States

BSC

Publications

Yamara Matos Oliveira, Nathalia Salles Vernin, Yong Zhang, Edward J Maginn, Frederico Wanderley Tavares
Interaction Between Endocrine Disruptors and Polyethylene Nanoplastic by Molecular Dynamics Simulations. The journal of physical chemistry. B 128 (8) (2024)
Yamara Matos Oliveira, Nathalia Salles Vernin, Yong Zhang, Edward J Maginn, Frederico Wanderley Tavares
Interaction Between Endocrine Disruptors and Polyethylene Nanoplastic by Molecular Dynamics Simulations. The journal of physical chemistry. B (2024)
Kalin R Baca, Karim Al-Barghouti, Ning Wang, Madelyn G Bennett, Lucia Matamoros Valenciano, Tessie L May, Irene V Xu, Max Cordry, Dorothy M Haggard, Abigail G Haas, Ashley Heimann, Abby N Harders, Hannah G Uhl, Diego T Melfi, Andrew D Yancey, Rajkumar Kore, Edward J Maginn, Aaron M Scurto, Mark B Shiflett
Ionic Liquids for the Separation of Fluorocarbon Refrigerant Mixtures. Chemical reviews 124 (9) (2024)
Ning Wang, Edward J Maginn
GAFF-Based Polarizable Force Field Development and Validation for Ionic Liquids. The journal of physical chemistry. B 128 (3) (2024)
Ning Wang, Edward J Maginn
GAFF-Based Polarizable Force Field Development and Validation for Ionic Liquids. The journal of physical chemistry. B (2024)
Dinis O Abranches, Edward J Maginn, Yamil J Colón
Stochastic machine learning via sigma profiles to build a digital chemical space. Proceedings of the National Academy of Sciences of the United States of America 121 (31) (2024)
Dinis O Abranches, Edward J Maginn, Yamil J Colón
Stochastic machine learning via sigma profiles to build a digital chemical space. Proceedings of the National Academy of Sciences of the United States of America 121 (31) (2024)
Yamara Matos Oliveira, Nathalia Salles Vernin, Yong Zhang, Edward J Maginn, Frederico Wanderley Tavares
Interaction Between Endocrine Disruptors and Polyethylene Nanoplastic by Molecular Dynamics Simulations. The journal of physical chemistry. B 128 (8) (2024)
Kalin R Baca, Karim Al-Barghouti, Ning Wang, Madelyn G Bennett, Lucia Matamoros Valenciano, Tessie L May, Irene V Xu, Max Cordry, Dorothy M Haggard, Abigail G Haas, Ashley Heimann, Abby N Harders, Hannah G Uhl, Diego T Melfi, Andrew D Yancey, Rajkumar Kore, Edward J Maginn, Aaron M Scurto, Mark B Shiflett
Ionic Liquids for the Separation of Fluorocarbon Refrigerant Mixtures. Chemical reviews (2024)
Dinis O Abranches, Edward J Maginn, Yamil J Colón
Stochastic machine learning via sigma profiles to build a digital chemical space. Proceedings of the National Academy of Sciences of the United States of America 121 (31) (2024)
Ksenija D Glusac, Michael J Counihan, Sydney N Lavan, Yingjie Yang, Yinke Jiang, Diwash Dhakal, Julian Mars, Emma N Antonio, Luis Kitsu Iglesias, Timothy T Fister, Yong Zhang, Edward J Maginn, Michael F Toney, Robert F Klie, Justin G Connell, Sanja Tepavcevic
Effect of Antisolvent Additives in Aqueous Zinc Sulfate Electrolytes for Zinc Metal Anodes: The Case of Acetonitrile. ACS energy letters 9 (1) (2023)
Yong Zhang, Emily V Carino, Nathan T Hahn, Nigel Becknell, Julian Mars, Kee Sung Han, Karl T Mueller, Michael F Toney, Edward J Maginn, Sanja Tepavcevic
Understanding the Surprising Ionic Conductivity Maximum in Zn(TFSI) 2 Water/Acetonitrile Mixture Electrolytes. The journal of physical chemistry letters (2023)
Dinis O Abranches, Edward J Maginn, Yamil J Colón
Boosting Graph Neural Networks with Molecular Mechanics: A Case Study of Sigma Profile Prediction. Journal of chemical theory and computation (2023)
Jorge L Galvez Vallejo, Garrett M Tow, Edward J Maginn, Buu Q Pham, Dipayan Datta, Mark S Gordon
Quantum Chemical Modeling of Propellant Degradation. The journal of physical chemistry. A 127 (8) (2023)
Ning Wang, Ryan S DeFever, Edward J Maginn
Alchemical Free Energy and Hamiltonian Replica Exchange Molecular Dynamics to Compute Hydrofluorocarbon Isotherms in Imidazolium-Based Ionic Liquids. Journal of chemical theory and computation (2023)
Ning Wang, Montana N Carlozo, Eliseo Marin-Rimoldi, Bridgette J Befort, Alexander W Dowling, Edward J Maginn
Machine Learning-Enabled Development of Accurate Force Fields for Refrigerants. Journal of chemical theory and computation (2023)
Ksenija D Glusac, Michael J Counihan, Sydney N Lavan, Yingjie Yang, Yinke Jiang, Diwash Dhakal, Julian Mars, Emma N Antonio, Luis Kitsu Iglesias, Timothy T Fister, Yong Zhang, Edward J Maginn, Michael F Toney, Robert F Klie, Justin G Connell, Sanja Tepavcevic
Effect of Antisolvent Additives in Aqueous Zinc Sulfate Electrolytes for Zinc Metal Anodes: The Case of Acetonitrile. ACS energy letters 9 (1) (2023)
Edward J Maginn, Ioannis G Economou, Randall Q Snurr, Arup K Chakraborty
Tribute to Doros N. Theodorou. The journal of physical chemistry. B 127 (12) (2023)
Shinae Kim, Justin A Conrad, Garrett M Tow, Edward J Maginn, Jerry A Boatz, Mark S Gordon
Intermolecular interactions in clusters of ethylammonium nitrate and 1-amino-1,2,3-triazole. Physical chemistry chemical physics : PCCP (2023)
Jorge L Galvez Vallejo, Garrett M Tow, Edward J Maginn, Buu Q Pham, Dipayan Datta, Mark S Gordon
Quantum Chemical Modeling of Propellant Degradation. The journal of physical chemistry. A (2023)
Fernando J Carmona Esteva, Yong Zhang, Yamil J Colón, Edward J Maginn
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 (2023)
Yong Zhang, Nicholas H C Lewis, Julian Mars, Gang Wan, Nicholas J Weadock, Christopher J Takacs, Maria R Lukatskaya, Hans-Georg Steinrück, Michael F Toney, Andrei Tokmakoff, Edward J Maginn
Correction to "Water-in-Salt LiTFSI Aqueous Electrolytes. 1. Liquid Structure from Combined Molecular Dynamics Simulation and Experimental Studies". The journal of physical chemistry. B 126 (16) (2022)
Dinis O Abranches, Yong Zhang, Edward J Maginn, Yamil J Colón
Sigma profiles in deep learning: towards a universal molecular descriptor. Chemical communications (Cambridge, England) 58 (37) (2022)
Edward J Maginn
Virtual Issue on Carbon Dioxide: Physical Chemistry That Impacts Its Capture, Sequestration, and Conversion. The journal of physical chemistry. B 126 (48) (2022)
Ning Wang, Yong Zhang, Karim S Al-Barghouti, Rajkumar Kore, Aaron M Scurto, Edward J Maginn
Structure and Dynamics of Hydrofluorocarbon/Ionic Liquid Mixtures: An Experimental and Molecular Dynamics Study. The journal of physical chemistry. B 126 (41) (2022)
Edward J Maginn
Virtual Issue on Carbon Dioxide: Physical Chemistry That Impacts Its Capture, Sequestration, and Conversion. The journal of physical chemistry. B 126 (48) (2022)
Nicholas H C Lewis, Bogdan Dereka, Yong Zhang, Edward J Maginn, Andrei Tokmakoff
From Networked to Isolated: Observing Water Hydrogen Bonds in Concentrated Electrolytes with Two-Dimensional Infrared Spectroscopy. The journal of physical chemistry. B 126 (28) (2022)
Stephanie Spittle, Derrick Poe, Brian Doherty, Charles Kolodziej, Luke Heroux, Md Ashraful Haque, Henry J Squire, Tyler Cosby, Yong Zhang, Carla Fraenza, Sahana Bhattacharyya, Madhusudan Tyagi, Jing Peng, Ramez A Elgammal, Thomas Zawodzinski, Mark E Tuckerman, Steven G Greenbaum, Burcu Gurkan, Clemens Burda, Mark Dadmun, Edward J Maginn, Joshua R Sangoro
Author Correction: Evolution of microscopic heterogeneity and dynamics in choline chloride-based deep eutectic solvents. Nature communications 13 (1) (2022)
Miguel Angel González, Hiroshi Akiba, Oleg Borodin, Gabriel Julio Cuello, Louis Hennet, Shinji Kohara, Edward J Maginn, Lucile Mangin-Thro, Osamu Yamamuro, Yong Zhang, David L Price, Marie-Louise Saboungi
Structure of water-in-salt and water-in-bisalt electrolytes. Physical chemistry chemical physics : PCCP 24 (18) (2022)
Yong Zhang, Jeffrey M Klein, Rohan Akolkar, Burcu E Gurkan, Edward J Maginn
Solvation Structure, Dynamics, and Charge Transfer Kinetics of Cu 2+ and Cu + in Choline Chloride Ethylene Glycol Electrolytes. The journal of physical chemistry. B 126 (34) (2022)
Edward J Maginn
Virtual Issue on Carbon Dioxide: Physical Chemistry That Impacts Its Capture, Sequestration, and Conversion. The journal of physical chemistry. B 126 (48) (2022)
Bogdan Dereka, Nicholas H C Lewis, Yong Zhang, Nathan T Hahn, Jonathan H Keim, Scott A Snyder, Edward J Maginn, Andrei Tokmakoff
Exchange-Mediated Transport in Battery Electrolytes: Ultrafast or Ultraslow? Journal of the American Chemical Society 144 (19) (2022)
Stephanie Spittle, Derrick Poe, Brian Doherty, Charles Kolodziej, Luke Heroux, Md Ashraful Haque, Henry J Squire, Tyler Cosby, Yong Zhang, Carla Fraenza, Sahana Bhattacharyya, Madhusudan Tyagi, Jing Peng, Ramez A Elgammal, Thomas Zawodzinski, Mark E Tuckerman, Steven G Greenbaum, Burcu Gurkan, Clemens Burda, Mark Dadmun, Edward J Maginn, Joshua R Sangoro
Evolution of microscopic heterogeneity and dynamics in choline chloride-based deep eutectic solvents. Nature communications 13 (1) (2022)
Yong Zhang, Edward J Maginn
Water-In-Salt LiTFSI Aqueous Electrolytes (2): Transport Properties and Li+ Dynamics Based on Molecular Dynamics Simulations. The journal of physical chemistry. B 125 (48) (2021)
Pavel Jungwirth, Edward J Maginn, Benoı T Roux, Friederike Schmid, Joan-Emma Shea
Characteristics of Impactful Computational Contributions to The Journal of Physical Chemistry B. The journal of physical chemistry. B 124 (25) (2021)
Ibrahim Alfurayj, Carla Cecilia Fraenza, Yong Zhang, Rathiesh Pandian, Stephanie Spittle, Bryce Hansen, William Dean, Burcu E Gurkan, Robert F Savinell, Steve Greenbaum, Edward J Maginn, Joshua R Sangoro, Yanming Wang
Solvation Dynamics of Wet Ethaline: Water is the Magic Component. The journal of physical chemistry. B 125 (31) (2021)
Bridgette J Befort, Ryan S DeFever, Garrett M Tow, Alexander W Dowling, Edward J Maginn
Machine Learning Directed Optimization of Classical Molecular Modeling Force Fields. Journal of chemical information and modeling 61 (9) (2021)
Lin Ma, Travis P Pollard, Yong Zhang, Marshall A Schroeder, Michael S Ding, Arthur V Cresce, Ruimin Sun, David R Baker, Brett A Helms, Edward J Maginn, Chunsheng Wang, Oleg A Borodin, Kang Xu
Functionalized Phosphonium Cations Enable Zinc Metal Reversibility in Aqueous Electrolytes. Angewandte Chemie (International ed. in English) 60 (22) (2021)
Burcu E Gurkan, Edward J Maginn, Emily B Pentzer
Deep Eutectic Solvents: A New Class of Versatile Liquids. The journal of physical chemistry. B 124 (50) (2021)
Ryan S DeFever, Edward J Maginn
Computing the Liquidus of Binary Monatomic Salt Mixtures with Direct Simulation and Alchemical Free Energy Methods. The journal of physical chemistry. A 125 (38) (2021)
Ryan S DeFever, Ray A Matsumoto, Alexander W Dowling, Peter T Cummings, Edward J Maginn
MoSDeF Cassandra: A complete Python interface for the Cassandra Monte Carlo software. Journal of computational chemistry 42 (18) (2021)
Yong Zhang, Nicholas H C Lewis, Julian Mars, Gang Wan, Nicholas J Weadock, Christopher J Takacs, Maria R Lukatskaya, Hans-Georg Steinrück, Michael F Toney, Andrei Tokmakoff, Edward J Maginn
Water-in-Salt LiTFSI Aqueous Electrolytes. 1. Liquid Structure from Combined Molecular Dynamics Simulation and Experimental Studies. The journal of physical chemistry. B 125 (17) (2021)
Benworth B Hansen, Stephanie Spittle, Brian Chen, Derrick Poe, Yong Zhang, Jeffrey M Klein, Alexandre Horton, Laxmi Adhikari, Tamar Zelovich, Brian W Doherty, Burcu E Gurkan, Edward J Maginn, Arthur J Ragauskas, Mark D Dadmun, Thomas A Zawodzinski, Gary A Baker, Mark E Tuckerman, Robert F Savinell, Joshua R Sangoro
Deep Eutectic Solvents: A Review of Fundamentals and Applications. Chemical reviews 121 (3) (2020)
Yong Zhang, Derrick Poe, Luke Heroux, Henry Squire, Brian W Doherty, Zhuoran Long, Mark D Dadmun, Burcu E Gurkan, Mark E Tuckerman, Edward J Maginn
Liquid Structure and Transport Properties of the Deep Eutectic Solvent Ethaline. The journal of physical chemistry. B 124 (25) (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)
Ryan S DeFever, Haimeng Wang, Yong Zhang, Edward J Maginn
Melting points of alkali chlorides evaluated for a polarizable and non-polarizable model. The Journal of chemical physics 153 (1) (2020)
Qianwen Huang, Tuanan C Lourenço, Luciano T Costa, Yong Zhang, Edward J Maginn, Burcu Gurkan
Solvation Structure and Dynamics of Li+ in Ternary Ionic Liquid-Lithium Salt Electrolytes. The journal of physical chemistry. B 123 (2) (2019)
Garrett M Tow, Edward J Maginn
Evaluating physical properties of the orthorhombic crystal phase of ammonium perchlorate using a Class II force field. The Journal of chemical physics 149 (24) (2019)
Michael T Humbert, Yong Zhang, Edward J Maginn
PyLAT: Python LAMMPS Analysis Tools. Journal of chemical information and modeling 59 (4) (2019)
Yushan Zhang, Yong Zhang, Mark J McCready, Edward J Maginn
Prediction of membrane separation efficiency for hydrophobic and hydrophilic proteins : A coarse-grained Brownian dynamics simulation study. Journal of molecular modeling 25 (5) (2019)
Ryan Gotchy Mullen, Steven A Corcelli, Edward J Maginn
Reaction Ensemble Monte Carlo Simulations of CO2 Absorption in the Reactive Ionic Liquid Triethyl(octyl)phosphonium 2-Cyanopyrrolide. The journal of physical chemistry letters 9 (18) (2018)
Tuanan C Lourenço, Yong Zhang, Luciano T Costa, Edward J Maginn
A molecular dynamics study of lithium-containing aprotic heterocyclic ionic liquid electrolytes. The Journal of chemical physics 148 (19) (2018)
Fardin Khabaz, Yong Zhang, Lianjie Xue, Edward L Quitevis, Edward J Maginn, Rajesh Khare
Temperature Dependence of Volumetric and Dynamic Properties of Imidazolium-Based Ionic Liquids. The journal of physical chemistry. B 122 (8) (2018)
M Alejandra Rocha, Yong Zhang, Edward J Maginn, Mark B Shiflett
Simulation and measurement of water-induced liquid-liquid phase separation of imidazolium ionic liquid mixtures. The Journal of chemical physics 149 (16) (2018)
Quintin R Sheridan, William F Schneider, Edward J Maginn
Role of Molecular Modeling in the Development of CO2-Reactive Ionic Liquids. Chemical reviews 118 (10) (2018)
Brian Yoo, Eliseo Marin-Rimoldi, Ryan Gotchy Mullen, Arben Jusufi, Edward J Maginn
Discrete Fractional Component Monte Carlo Simulation Study of Dilute Nonionic Surfactants at the Air-Water Interface. Langmuir : the ACS journal of surfaces and colloids 33 (38) (2017)
Jindal K Shah, Eliseo Marin-Rimoldi, Ryan Gotchy Mullen, Brian P Keene, Sandip Khan, Andrew S Paluch, Neeraj Rai, Lucienne L Romanielo, Thomas W Rosch, Brian Yoo, Edward J Maginn
Cassandra: An open source Monte Carlo package for molecular simulation. Journal of computational chemistry 38 (19) (2017)
Ryan Gotchy Mullen, Edward J Maginn
Reaction Ensemble Monte Carlo Simulation of Xylene Isomerization in Bulk Phases and under Confinement. Journal of chemical theory and computation 13 (9) (2017)
Andreas Bröhl, Benjamin Albrecht, Yong Zhang, Edward J Maginn, Ralf Giernoth
Influence of Hofmeister Ions on the Structure of Proline-Based Peptide Models: A Combined Experimental and Molecular Modeling Study. The journal of physical chemistry. B 121 (9) (2017)
Quintin R Sheridan, William F Schneider, Edward J Maginn
Anion Dependent Dynamics and Water Solubility Explained by Hydrogen Bonding Interactions in Mixtures of Water and Aprotic Heterocyclic Anion Ionic Liquids. The journal of physical chemistry. B 120 (49) (2016)

Edward J Maginn.css-eqlu8i{font-size:small;padding-left:4px;} (Edward Maginn)

Publication Activity (10 Years)

Top Topics

Top Venues

Edward J Maginn (Edward Maginn)