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Atomistix ToolKit (ATK) is a commercial software, developed by Atomistix A/S, for atomic-scale modeling and simulation of nanosystems. Atomistix ToolKit is a further development of TranSIESTA-C, which in turn in based on the technology, models, and algorithms developed in the academic codes TranSIESTA and McDCal, employing localized basis sets as developed in SIESTA.
Additional recommended knowledge
Atomistix ToolKit combines density functional theory with non-equilibrium Green's functions for first principles electronic structure and transport calculations of
The key features are
Atomistix Virtual NanoLab — a graphical user interface
|This article is licensed under the GNU Free Documentation License. It uses material from the Wikipedia article "Atomistix_ToolKit". A list of authors is available in Wikipedia.|