Quantumwise Atomistix Toolkit 11 2 2 3069.zip

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Quantumwise Atomistix Toolkit: A Powerful Software for Atomic-Scale Modeling and Simulation of Nanosystems

Quantumwise Atomistix Toolkit (ATK) is a commercial software that enables you to perform atomic-scale modeling and simulation of nanosystems, such as nanoelectronics, nanodevices, nanomaterials, and nanobiology. ATK is based on density functional theory (DFT) and non-equilibrium Green's functions (NEGF), which are state-of-the-art methods for describing quantum phenomena at the nanoscale.

With ATK, you can design, optimize, and analyze nanosystems with various properties and functionalities, such as electronic transport, optical response, magnetic behavior, phonon transport, catalysis, and more. ATK also provides a user-friendly graphical interface, called Virtual NanoLab (VNL), which allows you to easily set up and visualize your simulations. Moreover, ATK supports scripting with Python and NanoLanguage, which gives you full control and flexibility over your calculations.

ATK is developed by QuantumWise A/S, a company that was founded in 2008 by former researchers from Atomistix A/S, the original developer of the software. QuantumWise has since then continuously improved and expanded the capabilities of ATK, making it one of the most advanced and versatile software tools for nanoscale modeling and simulation in the market.

If you are interested in learning more about ATK or downloading a free trial version, you can visit the official website of QuantumWise at https://quantumwise.com/. You can also find tutorials, examples, documentation, and support forums on the website.

In this article, we will give you an overview of some of the main features and applications of ATK. We will also show you how to download and install Quantumwise Atomistix Toolkit 11 2 2 3069.zip, which is the latest version of the software as of April 2023.

Features and Applications of ATK

ATK offers a comprehensive set of features and applications for atomic-scale modeling and simulation of nanosystems. Here are some of the highlights:

Electronic structure calculations: ATK can perform DFT calculations with various exchange-correlation functionals, pseudopotentials, basis sets, spin-orbit coupling, Hubbard U correction, van der Waals correction, etc. You can also perform post-DFT calculations such as GW approximation, Bethe-Salpeter equation (BSE), time-dependent DFT (TDDFT), etc.

Electronic transport calculations: ATK can perform NEGF calculations with various boundary conditions, electrodes, contacts, bias voltages, gate voltages, etc. You can also perform post-NEGF calculations such as transmission spectrum, current-voltage characteristics (I-V), differential conductance (dI/dV), shot noise (S), thermoelectric properties (Seebeck coefficient Se, electrical conductivity e, thermal conductivity e, figure of merit ZT), etc.

Optical properties calculations: ATK can perform TDDFT calculations with various light sources, polarizations, intensities, frequencies, etc. You can also perform post-TDDFT calculations such as absorption spectrum (A), reflectance spectrum (R), transmittance spectrum (T), photoluminescence spectrum (PL), etc.

Magnetic properties calculations: ATK can perform DFT calculations with various magnetic fields, spin configurations, exchange interactions, anisotropies, etc. You can also perform post-DFT calculations such as magnetic moment (), magnetization (M), magnetic susceptibility (), hysteresis loop (M-H), spin torque (s), etc.

Phonon properties calculations: ATK can perform DFT calculations with various lattice vibrations modes, 66dfd1ed39

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