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Welcome to the Maginn Group Website

Our research group develops and utilizes advanced molecular-level simulation methods to discover the link between the chemical structure and composition of materials and their thermophysical properties. Much of our current efforts are devoted to energy and environmental applications.

We are part of the Notre Dame Computational Molecular Science and Engineering Laboratory (COMSEL), a state-of-the-art research facility where engineers and scientists come togther to use molecular-based computational methods to solve some of the most pressing problems facing the world today.

I invite you to explore our website to learn more about the research and teachinggoing on, as well as to meet some of the people involved. You can find a list of our publications and read about the latest news in the group.

Check out some movies here, which show how our simulations work.


5.8.13 Sunset Basilica & Golden Dome 27911 1
May 8, 2013; Basilica of the Sacred Heart and Golden Dome at sunset. Photo by Barbara Johnston/University of Notre Dame


Edward Maginn 2014ed@nd.edu