Over the past two decades, the emergence of new techniques has made synthesis and construction of matters at nanoscale possible, leading to extremely rapid rise of the field of nanomaterials science. For instance, today's electronics industry is the result of advances in nanomaterials research. As electronic devices get smaller, there are increasing challenges in silicon technology. Materials with new scaling properties need to be developed urgently. Indeed, nanomaterials science promises a wide range of novel applications of new perspectives.

Meanwhile, theoretical modeling and computational simulation have advanced as much as the experimental techniques in nanomaterials science. The development ranges from density functional algorithms to mesoscale methods, which enables pursuit the characteristic nature of nanomaterials, as well as predict and design functional nanomaterials. On the other hand, the recent development of parallel processor supercomputers has led to tremendous increase (by a factor of a million) in computational power. These developments together have been creating new opportunities for modeling and simulation of electronic properties of nanomaterials, as well as for designing novel nanoelectronic devices.

This special issue will be focused on the theoretical modeling and computational simulation of electronic properties of nanomaterials and related applications. It intends to cover the entire range of nanostructures and low-dimensional model systems. We welcome papers presenting discovery of novel phenomena, fundamental understanding and prediction, and design of nanomaterials. Topics of interest include, but not limited to the following areas:

• Electronic structures of nanomaterials
• Relationship between structural and electronic properties of nanomaterials
• Electron and spin transport properties of nanostructures and low-dimensional model systems
• Photovoltaics
• Catalytic mechanisms of nanoclusters
• Development of theoretical modeling and computational simulation approaches on electronic structure calculations of nanomaterials

Before submission authors should carefully read over the journal's Author Guidelines, which are located at http://www.hindawi.com/journals/jnm/guidelines/. Prospective authors should submit an electronic copy of their complete manuscript through the journal Manuscript Tracking System at http://mts.hindawi.com/ according to the following timetable: