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)