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LATEST ATK VERSION: 2014.0, Released 5th of September 2014

Simulation software for nanoscience

Download Atomistix ToolKit and Virtual NanoLab as one complete package and get started today. 



  • VNL-ATK 2014 released

    Oct 01 2014

    VNL-ATK 2014 is now available for download. The new release introduces a wide variety of new and improved features.

    • A new module for empirical potentials, called ATKClassical, along with several updates to the molecular dynamics framework and integration with the ATK phonon transport capabilities. Also support for plotting LAMMPS output!
    • Noncollinear spin upgraded and spin-orbit interaction added, both for ATK-SemiEmpirical and ATK-DFT.
    • New capabilities especially aimed at semiconductor materials and device studies
    • Several performance improvements, to reduce both calculation time and memory consumption, and to improve the graphical capacity of VNL. The new code is 35-40% faster than ATK 13.8, and even more when using some of the new special algorithms for particular simulations. The new graphics engine can build 10,000+ atom systems and visualize results like MD trajectories with 1M+ atoms.
    • Integration with VASP, Quantum Espresso, GPAW, and a other codes
    • FHI-AIMS embedded with Python support
    • Mac OS X version
    • Introducing a €500 perpetual academic license for VNL (with a serial version of ATKClassical)
    • And many, many other nice things – see below for additional details!
  • ATK 13.8.1 update

    Feb 20 2014

    An updated version of ATK 13.8 is available for download. A few somewhat serious bugs have been fixed, in addition to several minor ones, and there are also some new features!

  • Atomistix ToolKit Semi-Empirical (ATK-SE)

    Jan 12 2014

    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

  • ATK 13.8 released

    Oct 23 2013

    ATK 13.8 released with many new features, among others Phonon calculations, IV-curves, Noncollinear spin, Bandstructure Analyzer, New 3D Viewer, and more...