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Atomistix-ToolKit


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OS: Linux, Windows

Methods: DFT, Semiempirical



QuantumWise software is used to model the electronic structure of molecules, crystals, and surfaces. It is distinguished by its unique capability to simulate electrical transport in nano-devices, and its ability to treat large-scale systems. The QuantumWise platform is based on an open architecture which integrates a powerful scripting language with a GUI platform. The software is actively used in a wide range of application areas such as:

Molecular electronics
Carbon nanotubes and graphene
Nanowires
Computational material science
Bulk and nanoscale semiconductors
Surface electrochemistry
Magnetic systems and spintronics


Link: http://www.quantumwise.com/products


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