Atomistix ToolKit (ATK) is a software package that offers unique capabilities for simulating nanostructures on the atomic scale
NEGF simulations to study transport properties like I-V characteristics of nanoelectronic devices
Powerful combination of DFT, semi-empirical tight-binding, classical potentials in the same package
Advanced graphical user interface for building complicated structures like interfaces and transport systems
Plugin-based platform which can interface with external codes
Python scripting interface
The software is used by over 150 research groups at leading universities, government labs, and companies around the world, in a wide range of application areas. Since 2006, more than 600 scientific articles have been published using ATK. With its graphical user interface, ATK is also an ideal tool for teaching basic concepts of nanotechnology, solid state physics, etc.
Watch a demo calculation with ATK! (click player to enlarge)
New release: Atomistix ToolKit Semi-Empirical (ATK-SE) 2009.06
ATK-SE sets a new standard for nanoscale device simulations! Faster than DFT, allowing for larger systems, and featuring a unique capability to calculate how electrostatic (metallic and dielectric) gates influence the electron transport. And that's just the beginning...!
With updates of the ATK-SemiEmpirical model, a preview of the next DFT version, and several updates to the graphical user interface, this release is an important step towards integrating the semi-empirical and the DFT models into one homogeneous environment. It should however be noted that ATK-DFT 2009.11 is not a complete replacement of ATK 2008.10, as it is still missing a few key features. Therefore it is considered an alpha-version, while VNL hereby is released in another beta-version.
The release introduces the long awaited Windows version of ATK-SemiEmpirical, plus some exciting updates of the electrostatic model which allow for modeling of charged systems and solvent effects. As in 2009.11, a preview of the next DFT version is included, although ATK-DFT 2009.12 is not a complete replacement of ATK 2008.10, since a few key features are still missing. Therefore it is considered an alpha-version for the DFT, while VNL hereby is released in another beta-version.