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MEMS/MatSci Seminar: The long and winding road: predicting material and molecular properties through computation
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Friday, November 30, 2018 - 1:15pm to 2:15pm
Giulia Galli, University of Chicago & Argonne National Laboratory
I will discuss recent progress in predicting material and molecular properties from the basic principles of quantum mechanics, with specific examples on materials for energy conversion processes, and for quantum information science. I will also discuss some of the open challenges involved in enabling scientific discoveries by computation, including theoretical and algorithmic advances required to broaden the scope of properties accessible by ab initio simulations, as well as innovative methods to collect, verify and use data generated by simulations. Lunch at 12:45pm outside Teer 203