Professor Giulia Galli
Liew Family Professor of Molecular Engineering
University of Chicago
Substantial progress has been made in the last three decades in understanding and predicting the fundamental properties of materials and molecular systems from first principles, employing electronic structure methods and atomistic simulations. Using specific examples, I will discuss some of the major challenges involved in enabling scientific discoveries by computation; in particular I will touch upon theoretical validation; and collection, verification and use of data generated by simulations. I will also discuss some of the theoretical and algorithmic advances required to broaden the scope of properties accessible by current ab initio simulations.
gagalli@uchicago.edu
http://galligroup.uchicago.edu/
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