Atomistix ToolKit (ATK) is designed to help you understand and improve
the functionality of nanoscale systems. The modeling platform can be
used to calculate electrical properties of nanostructures coupled to
semi-infinite electrodes under a finite bias voltage (so-called
two-probe systems). Typical systems include

* Tunnel junctions and interfaces (e.g. magnetic memory devices)
* Molecules and nanotubes coupled to metal surfaces
* A molecule inserted in a linear atomic wire

In addition, Atomistix ToolKit can be used for conventional electronic
structure simulations, including spin-polarized calculations and
optimized atomic geometries, of periodic and isolated systems.


Understanding the behavior of nanoscale devices is not trivial. A single
atom out of place may dramatically improve, or destroy, the device
functionality in ways that experiments cannot predict.


This is where modeling enters. Analyzing the atomic-scale properties by
computer simulations makes it possible to limit and to tailor the
experiments needed to develop a working device. Since physical
experiments, especially at the nanoscale, are associated with
considerable costs, Atomistix ToolKit provides an effective way to do
business.

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