In this three-hours hands-on tutorial you will perform atomic-scale simulations for various systems relevant for nanotechnology, namely nanotubes, MoS2 monolayer, and 2D tunnel field effect transistors. In particular, you will learn the basics for the use of the graphical user interface, Virtual Nanolab (VNL), in conjunction with the simulation code Atomistic Toolkit (ATK).
Thanks to the powerful GUI and the availability of many atomic-scale methods ranging from Density Functional Theory (DFT) to tight binding and classical potentials you will be able to complete all the analysis described below starting from scratch.

During the tutorial the complete VNL and ATK suite with an extended trial license will be provided and you will be guided through the following steps:

• install and configure the software in just few clicks
• create and modify your nano-structures
• run your simulations to investigate: electronic properties such as band structures and band gaps, electronic transport properties, phonons and thermal properties such as vibrational modes and thermal coefficients of 1D and 2D systems
• analyze and plot your results

So, remember to bring your laptop, whether it is running a GNU/Linux or a Windows operating system!

QuantumWise (www.quantumwise.com) specializes in advanced solutions for atomic-scale modeling of nanostructures, and the primary aim is to commercialize the most advanced simulation techniques within atomic-scale modeling, in order to enable their usage in a commercial setting.
This requires knowledge not only of the methods, but also an insight into how such tools are used when companies attempt to extract commercial gain from novel technologies such as nanotechnology.
QuantumWise thus positions itself as a facilitator, by interacting with the research community via e.g. EU framework programmes on the one hand, to extract state-of-the-art methods and techniques, and companies that seek to utilize these tools on the other, and strive to package these advanced numerical tools in an easy-to-use package.