This project uses supercomputers at Oak Ridge Leadership Computing Facility to tackle some of the most challenging problems in nanoscience research. In particular, it will study the electron localization in nanosystems from colloidal quantum dots to piezoelectric materials, and to two dimensional materials. The understanding of their electronic structures will help to use these nanosystems to optical and electronic applications. It will also study the mechanical properties of bulk Al due to ultrafine grain formations, which is an important question for this widely used light weight metal. Finally, it will also develop a method to calculate the high order many body perturbation theory which can significantly increase our accuracy to predict the material properties by first principle calculations.
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