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SUMMARY:Quantum simulations of materials for sustainable energy generation
  and use - Professor Giulia Galli\, University of Chicago
DTSTART:20220216T150000Z
DTEND:20220216T160000Z
UID:TALK163996@talks.cam.ac.uk
CONTACT:Lisa Masters
DESCRIPTION:We discuss recent progress in scoping design rules for so call
 ed sustainable materials\, namely solids and molecules that are useful to 
 develop sustainable energy sources. We use simulations at the atomistic le
 vel\, based on the basic laws of quantum mechanics\, coupled with various 
 methods rooted in statistical mechanics. We focus on several examples high
 lighting the successes and open problems of such simulations: oxides for l
 ow power electronics and for photoelectrodes\, and organic semiconductors 
 for third-generation organic emitting diodes.
LOCATION:Dept of Chemistry\, Wolfson Lecture Theatre and Zoom
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