Center for Sustainable Energy at Notre Dame



Edward Maginn

Office:  182 Fitzpatrick Hall of Engineering

Phone: 574-631-5687


Department Website

Group Website

Current Positions
Dorini Family Professor of Energy Studies, Department of Chemical and Biomolecular Engineering
Chair, Department of Chemical and Biomolecular Engineering

Ph.D, University of California, Berkeley
B.S., Chemical Engineering, Iowa State University

Research Interests
My group uses molecular modeling and simulation to compute thermodynamic and transport properties of materials relevant to the energy enterprise. We work on a diverse range of problems, including the development of new electrolytes for advanced batteries and energy storage, new materials for energy efficient separation technologies, carbon capture solvents and actinide materials.

Key Words
Molecular Modeling, Gas Separations, Electrolytes, Actinides

Five Relevant Energy Publications

  1. Jason Baxter, Zhixi Bian, Gang Chen, David Danielson, Mildred S. Dresselhaus, Andrei G. Fedorov, Timothy S. Fisher, Christopher W. Jones, Edward Maginn, Uwe Kortshagen, Arumugam Manthiram, Arthur Nozik, Debra Rolison, Timothy Sands, Li Shi, David Sholl, Yiying Wu, “Nanoscale Design to Enable the Revolution in Renewable Energy”, Energy and Environmental Science, 2009, 2, 559-588
  2. Christopher Jones and Edward J. Maginn, “Materials and Processes for Carbon Capture and Sequestration”, ChemSusChem, 2010, 3: 863–864
  3. E. J. Maginn, “What to Do with CO2?”, Invited Guest Commentary, Journal of Physical Chemistry Letters, 2010, 1, 3478-3479
  4. Hongjun Liu and Edward J. Maginn, “Effect of Ion Structure on Conductivity in Lithium-Doped Ionic Liquid Electrolytes: A Molecular Dynamics Study”, Journal of Chemical Physics, 2013, 139, 114508
  5. Cassiano G. Aimoli, Edward J. Maginn, and Charlles R. A. Abreu, “Transport Properties of Carbon Dioxide and Methane from Molecular Dynamics Simulations”, Journal of Chemical Physics, 2014, 141, 134101