The Maginn Group at Notre Dame

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 together to use molecular-based computational methods to solve some of the most pressing problems facing the world today.

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