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Wednesday 16 February 2022, 15:00-16:00
Quantum simulations of materials for sustainable energy generation and use
â ī¸ Important: https://zoom.us/j/99306849914?pwd=dDg3YWkvTjZKaTc3RHZQbWxsb1QvUT09 Meeting ID: 993 0684 9914 Passcode: 982405
- đ¤ Speaker: Professor Giulia Galli, University of Chicago đ Website
- đ Date & Time: Wednesday 16 February 2022, 15:00 - 16:00
- đ Venue: Dept of Chemistry, Wolfson Lecture Theatre and Zoom
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Lisa Masters
Abstract
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.
Series This talk is part of the Theory - Chemistry Research Interest Group series.
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