Frontiers in Quantum Mechanics Simulations at the Nanoscale

E.A. Carter
Princeton University, US

Keywords: quantum mechanics, simulations, nanoscale

Summary:

Nanostructured materials and phenomena at the nanoscale have the potential to profoundly impact society and even the future of the planet. In my research group, we develop fast yet accurate quantum mechanics simulation methods that we then use to investigate materials and phenomena related to sustainable energy. My current research includes: evaluating new materials for photovoltaics and photo-catalytic electrodes to convert sunlight into electricity and fuels, quantifying biofuel combustion kinetics, optimizing ion and electron transport in solid oxide fuel cells, evaluating mechanical properties of lightweight metal alloys for fuel-efficient vehicles, and investigating liquid lithium for fusion reactor walls. Selected examples of state-of-the-art methods and applications specific to nanoscale science and engineering will be presented.