Quantum simulations of materials for sustainable energy generation and use – Professor Giulia Galli, University of Chicago

February 16, 2022 @ 2:30 pm – 3:30 pm
Dept of Chemistry
Wolfson Lecture Theatre and Zoom
Lisa Masters

We discuss recent progress in scoping design rules for so called sustainable materials, namely solids and molecules that are useful to develop sustainable energy sources. We use simulations at the atomistic level, based on the basic laws of quantum mechanics, coupled with various methods rooted in statistical mechanics. We focus on several examples highlighting the successes and open problems of such simulations: oxides for low power electronics and for photoelectrodes, and organic semiconductors for third-generation organic emitting diodes.

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