Atomistix ToolKit (ATK)

Atomistix ToolKit (ATK) 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 (DFT) and fast semi-empirical methods. Moreover, ATK includes a very advanced electrostatic model to allow realistic simulations of nanoscale transistor structures. ATK is also an ideal tool for educational courses in various subjects, from basic quantum mechanics to graduate courses in nanoelectronics. Since 2006, around 300 scientific articles have been published using ATK. 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. 		Atomistix ToolKit
Basic features of ATK
  • Electronic structure calculations: ATK uses both accurate first-principles (DFT) and fast semi-empirical methods
  • Transport calculations
  • A very advanced electrostatic model to allow realistic simulations of nanoscale transistor structures
  • Physical quantities calculations
  • Transport analysis
  • Ion dynamics
  • Graphical user Interface as Virtual NanoLab
  • Python scripting language interface - directly coupled to GUI

The easy-to-use graphical user interface enables students to focus on the essential tasks of defining the system geometry and analyzing the results. Since the calculations are based on first-principles, one will be able to go beyond the usual toy models of basic quantum mechanics and study realistic nanoscale systems. In advanced courses the students can even use the software to learn about the principles of density-functional theory.

Virtual NanoLab (VNL): Modern graphical user interface for setup and analysis along with scripting language interface to Atomistix ToolKit.
  • interactive builders for molecules, crystals, nanotubes, Two-probe systems (general and specialized, like MTJs),  etc.
  • 3D visualization of structures and results,
  • Interactive generation and export of NanoLanguage scripts
  • Internal NanoLanguage interpreter
  • Local execution of NanoLanguage scripts via drag-and-drop
 Atomistix ToolKit Feature
Two-Probe Systems

Atomistix ToolKit Feature
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Atomistix ToolKit Feature
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Atomistix ToolKit Feature

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Atomistix ToolKit Feature
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Atomistix ToolKit Feature