Getting started with QuantumATK

This page is aimed at users that have already installed QuantumATK NanoLab and are familiar with its latest features and user interface e.g., Builder , Workflows , Jobs . If you need installation instructions and/or are not familiar with these tools, please refer to the Guides page first.

The section Setting up first calculations in QuantumATK NanoLab will help you start using the QuantumATK NanoLab features through examples that will enable you to do your first calculations. You will learn about the basic workflow of setting up a calculation powered by the QuantumATK engine and analyze results using the QuantumATK NanoLab graphical interface.

The section Structure Building will show you how to build your own atomic structures such as molecules, nanotubes, interfaces, or crystals. You will learn how to specify the geometry of a new atomic structure, pick and attach new atoms, change its periodicity or simply load it from a database of pre-made atomic structures.

The goal of the getting-started tutorials is to teach you how to set up calculations without going into details. An astute observer will also see that the results in some of these tutorials are not completely meaningful. This is because the goal is to introduce you to QuantumATK NanoLab features and teach you about the workflow cycle. If you wish to learn how to solve a specific problem and understand the details behind certain calculation setups and steps, please refer to the list of other tutorials on the Tutorials page.

Setting up first calculations in QuantumATK NanoLab

Structure Building