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Theory and Simulation of Nanostructured Materials for Photovoltaic Applications

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3 Author(s)
Kanai, Y. ; Lawrence Livermore Nat. Lab., Berkeley, CA, USA ; Neaton, Jeffrey B. ; Grossman, J.C.

Quantum mechanical electronic structure calculations are playing an ever-expanding role in advancing nanotechnology as well as in advancing our understanding and design of new functional materials. Recent research utilizing quantum mechanical electronic structure calculations is helping to improve upon our understanding of existing nanomaterials-and predict new nanomaterials-for photovoltaic applications.

Published in:

Computing in Science & Engineering  (Volume:12 ,  Issue: 2 )