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Abstract:

In this webinar, we will discuss advanced atomic-scale modeling of nanoelectronic devices in a wide range of areas, from ultrascaled CMOS to molecular electronics, graphene, nanowires and nanotubes. After a brief introduction to some basics about the electronic structure and transport models that can be used in such simulations, The speaker will illustrate the key concepts with several examples. We will also demonstrate how we at QuantumWise have implemented these methods in a software package (Atomistix ToolKit), which contains a graphical user interface and a Python scripting engine to make it both easy to use and yet powerful for experienced users. The package is also capable of interfacing other codes like VASP, ABINIT, CASTEP, etc and can act as a graphical front-end to these packages, lowering the barrier for beginners and making power users more productive.
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