Prof. Edward J. Maginn, University of Notre Dame
March 7, 2013
11:00 AM - 12:00 PM
Developing New Materials for Energy and Environmental Applications via Molecular Simulation
Abstract:
The term “molecular simulation” refers to the use of computational methods to describe the behavior of matter at the atomistic level. Driven by advances in computational speed, parallelization and algorithms, molecular simulations are able to address increasingly relevant problems at a fraction of the computational cost required just a few years ago. In this seminar, I will highlight some recent results from our group where molecular simulations have played a key role in the development of new materials used in energy and environmental applications. In particular, I will focus on our efforts at developing new ionic liquids for CO2 capture and other gas separations as well as phase equilibria simulations in support of the development of new fluids for heating and cooling applications that are both environmentally friendly and energy efficient.
Date posted
Jun 17, 2019
Date updated
Jun 17, 2019