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Atomistix ToolKitAtomistix 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[1] and McDCal[2], employing localized basis sets as developed in SIESTA[3]. Additional recommended knowledgeFeaturesAtomistix ToolKit[4] combines density functional theory with non-equilibrium Green's functions for first principles electronic structure and transport calculations of
The key features are
See alsoAtomistix Virtual NanoLab — a graphical user interface References
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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. |