Edward Maginn

Professor Ed Maginn

Keough-Hesburgh Professor of Engineering

Associate Vice President for Research, University of Notre Dame






371 Nieuwland Hall of Science

Areas of Interest

The research in our group focuses on developing a fundamental understanding of the link between the physical properties of materials and their chemical constitution. Much of our work is devoted to applications related to energy and the environment.

The main tool we use is molecular simulation, in which a detailed geometric and energetic model of the material of interest is created and then simulated using large-scale high-performance computing. We work on developing new technologies based on charged fluids, including ionic liquids, deep eutectic solvents, and molten salts.

Current application areas focus on new energy storage devices such as flow batteries and “beyond lithium-ion” batteries, molten salts, and environmentally benign processes to purify rare earth elements and recover high global warming refrigerant gases. We also focus on algorithmic and computational research; we are the developers of the open-source atomistic Monte Carlo package Cassandra.



Ph.D., University of California, Berkeley, 1995
B.S., Chemical Engineering, Iowa State University, 1987