Giulia Galli, The University of Chicago and Argonne National Laboratory
The Long and Winding Road: Predicting Material Properties Through Theory and Computation
The Materials Theory Award, endowed by Toh-Ming Lu and Gwo Ching Wang, recognizes exceptional advances made by materials theory to the fundamental understanding of the structure and behavior of materials.
“for the development of advanced first-principles simulation methods and their application to the understanding, prediction and design of complex nanostructured materials"
Galli will discuss recent progress in predicting material from the basic principles of quantum mechanics, with specific examples on nanomaterials for energy-conversion processes and materials for quantum information science. Furthermore, Galli will 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 first-principle simulations, as well as innovative methods to collect, verify and use data generated by simulations.