Atomistix ToolKit

with Virtual NanoLab

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 and classical potentials. Moreover, ATK includes a very advanced electrostatic model to allow realistic simulations of nanoscale transistor structures.

Simulation software for nanoscience professionals

Researchers at R&D departments of the major semiconductor and electronics companies choose ATK for their atomistic simulations. The reason is that they realize that they can work more efficiently using ATK. ATK enables them to reach their goals faster. ATK is customer driven. We develop the program according to customer needs, and we do our best to anticipate their wishes.

What makes ATK the best choice for nanoscience professionals?

A smooth workflow with all needed tools right at hand.
Fast and reliable results, thanks to powerful codes.
Fast and professional support.

This is a brief overview of ATK. For a more detailed description please refer to the feature list.

One software - many calculation methods Use the Scripter as an interface for script setup and run calculations. The Scripter allows the user to focus on the physics and chemistry of the simulations, rather than the technical details. New users can get started faster with an unfamiliar code, without the barrier to learn complex input file formats, and experienced users can be more efficient by easier combining different codes into powerful simulation work flows.
	Methods DFT Semi-Empirical Classical potentials Abinit FHI-Aims Compute Electronic structure Electron transport Phonon transport Thermal properties Thermoelectric properties Optical properties Mechanical properties Transistor characteristics
Versatile tool for atomistic analysis Visual representations of data help in the understanding of the results. Virtual NanoLab provides tools for easily creating plots of advanced datastructures and for drilling down further in the numbers. This provides faster access to detailed data for drawing the correct conclusions about the results.
	Analyze results Organized view of files 3D visualizations, isosurfaces, plots Manipulate 3D grids – subtract, add, project,1D projection. Band structure, density of states MD trajectory analysis Produce movies and animated GIFs Movie tool for NEB trajectories Electronic structure Charge Density Plots Grid operations Effective potentials Band structure analyzer Watch a short demo video. Density of states Isosurfaces and plane projected plots Charge density 1D projections
Extend Atomistix ToolKit Virtual NanoLab (VNL) and ATK itself can be extended and integrated with other codes in many ways. ATK with VNL is a complete and highly flexible platform for atomic scale simulations, making researchers and engineers more efficient in their application of modeling. New general or customized functionality can quickly be added, and the platform itself is being rapidly developed and extended.
	Customize Extend functionality quickly and easily Open source resources available from Plugin Library Write your own plugins for specific needs Share custom plugins Create the workflow you prefer One-click installation from cloud Based on Python and QT Support new fileformats Get new templates for structures Support new codes