Atomistix Virtual NanoLab (VNL) is a commercial point-and-click software for simulation and analysis of physical and chemical properties of nanoscale devices.
[2] With its graphical interface, Virtual NanoLab provides a user-friendly approach to atomic-scale modeling.
Virtual NanoLab contains a 3D visualization tool, the Nanoscope, where atomic geometries and computed results can be viewed and analyzed.
One can for example plot Bloch functions of nanotubes and crystals, molecular orbitals, electron densities, and effective potentials.
The numerical engine that carries out the actual simulations is Atomistix ToolKit, which combines density functional theory and non-equilibrium Green's functions to ab initio electronic-structure and transport calculations.