QuantumWise develops software for atomic-scale simulations of nanoelectronic devices. The company collaborates with leading universities around the world to further develop the methods used in its flagship product, Atomistix ToolKit (ATK, acquired from the company Atomistix) and the graphical user interface, Virtual NanoLab. ATK is a state-of-the-art first-principles code with a unique ability to compute current-voltage characteristics of nanoscale systems.
This means that it can be used to investigate novel electronics application in carbon nanotubes, graphene, molecular electronics, nanowires, etc, as well as study the properties of complex interfaces, including high-k materials, and also magneto-tunnel junctions that e.g. can form the basis for future memory devices (MRAM). A particular focus of the development of the code is the ability to handle large-scale systems, meaning several thousands of atoms.
The software is actively used in a wide range of application areas such as:
- Molecular electronics
- Carbon nanotubes and graphene
- Computational material science
- Bulk and nanoscale semiconductors
- Surface electrochemistry
- Magnetic systems