Harvesting the energy from the sun: insights from ab initio materials modeling

COFFEE_KLATCH  · Invited

Abstract

Can quantum and atomistic simulations make valuable contributions to the search of materials for sustainable energy sources? We will address this question by discussing some specific examples where quantum simulations have been used to predict optical properties of nanostructured semiconductors and of complex oxides in contact with water. We will also discuss issues related to the comparisons with increasingly complex experiment.

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Authors

  • Giulia Galli

    • University of California, Davis
    • Department of Chemistry and Department of Physics, University of California, Davis
    • Department of Chemistry, University of California, Davis; Department of Physics, University of California, Davis
    • Dep. of Chemistry, UC Davis
    • Department of Chemistry, University of California, Davis and Department of Physics, University of California, Davis
    • UC Davis
    • Department Of Chemistry, Department Of Physics, University of California, Davis
    • Department of Chemistry, University of California, Davis 95616