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Abstract:

We discuss recent progress in scoping design rules for so called sustainable materials, namely solids and molecules that may eventually be 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 photoelectrodes and low power electronics, and organic semiconductors for third-generation organic emitting diodes.

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Bio:

Giulia Galli is the Liew Family Professor of Electronic Structure and Simulations in the Pritzker School of Molecular Engineering and in the Department of Chemistry at the University of Chicago. She also holds a Senior Scientist position at Argonne National Laboratory, where she is the director of the Midwest Integrated Center for Computational Materials.

She is an expert in the development of theoretical and computational methods to predict and engineer material and molecular properties using quantum simulations. ().

She is a member of the National Academy of Sciences, the American Academy of Arts and Science, and the International Academy of Quantum Molecular Science, and a Fellow of the American Association for the Advancement of Science and of the American Physical Society. Her recognitions include the Theory Award from the Materials Research Society, the David Adler Award in Materials Physics from the American Physical Society (APS), the Aneesur Rahman Prize for Computational Physics from the APS, the Feynman Nanotechnology Prize in Theory, and the Tomassoni-Chisesi award from La Sapienza University in Italy. In 2022 she received the Lifetime Achievement Award from the foundation of Italian and Scholars of North America.