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Issue No. 02 - March/April (2010 vol. 12)
ISSN: 1521-9615
pp: 18-27
Yosuke Kanai , Lawrence Livermore National Laboratory
Jeffrey B. Neaton , Lawrence Berkeley National Laboratory
Jeffrey C. Grossman , Massachusetts Institute of Technology
<p>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&#x2014;and predict new nanomaterials&#x2014;for photovoltaic applications.</p>
Quantum mechanical, optoelectronics, photovoltaics, solar cells, nanoscience and nanotechnology, electronic structure calculations

J. B. Neaton, Y. Kanai and J. C. Grossman, "Theory and Simulation of Nanostructured Materials for Photovoltaic Applications," in Computing in Science & Engineering, vol. 12, no. , pp. 18-27, 2010.
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