Softwares are available to simulate various concepts of nanotechnology. Proposed theoretical concepts and practical values of parameters can be obtained using handy softwares. One such very usefull software is Atomistix ToolKit (ATK) from QuantumWise.

Atomistix ToolKit (ATK) from QuantumWise is a quantum-mechanical software package that offers unique capabilities for simulating electrical transport properties of nanodevices on the atomic scale. Based on an open architecture which integrates a powerful scripting language with a graphical user interface, ATK is a comprehensive platform for studies in nanoelectronics, using both accurate first-principles and fast semi-empirical methods.
A special focus is placed on treating large-scale systems with upwards of 1,000 atoms. Moreover, ATK includes a very advanced electrostatic model to allow realistic simulations of nanoscale transistor structures.
ATK also offers basic electronic structure calculations, including geometry optimization, of molecules and periodic structures like bulk crystals, nanotubes, slabs, etc.
QuantumWise claims that the software is used by over 100 research groups at leading universities, government labs, and electronics companies around the world, in a wide range of application areas. QuantumWise says many new unique features have been planned for release already during this year.

Using this software we can study :Graphene, Nanotubes, Nanowires, Magnetic Tunnel Junctions, Molecular Electronics, Spintronics, High-k Dielectrics, Three-Terminal Devices and Single-Electron Transistors.

Using this software we can calculate:Electronic Structure, I–V Curves, Spin Current, Schottky Barriers, Conductance, Contact Resistance, Tunnel Magneto-Resistance, Transistor Characteristics and Charge Stability Diagrams. For details see: http://quantumwise.com/