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QuantumWise

specialises in advanced solutions for atomic-scale modelling of nanostructures, and its primary aim is to commercialise the most

advanced simulation techniques within atomic-scale modelling in order to enable their usage in a commercial setting. This requires not only

knowledge 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, for example,

EU framework programmes on the one hand, to extract state-of-the-art methods and techniques, and companies that seek to utilise these tools on

the other, and strives to collate these advanced numerical tools in an easy-to-use package.

But QuantumWise doesn’t just package a ready solution developed by someone else; it has the in-house expertise to develop novel functionality.

What this means for our customers is that we can design customised solutions, as well as very advanced ones, to study problems for which there

are currently no software tools available on the market. For our academic collaborators we help them to move their research in directions relevant

to the industry.

QuantumWise has 20+ highly trained employees, many with a PhD degree in theoretical physics or chemistry, some being world leaders in their

research field. The main office and development centre is located in Copenhagen, where we can benefit from the strong European community in

the area of electronic-structure theory and atomic-scale modelling. QuantumWise has sales representations in the US, Singapore and Japan. Our

software solutions are used by over 300 leading companies and research labs around the world to enhance R&D capabilities in a wide range of

application areas. Most of the major electronics and semiconductor companies are on the customer list. In recent years, QuantumWise has had a

revenue growth above 30%.

QuantumWise develops the simulation software engine

Atomistic ToolKit (ATK),

which offers a homogeneous interface to many different

atomic-scale methods, ranging from first-principles methods to tight-binding and classical potentials. The software can be used to investigate

novel device ideas for nanoelectronics based on molecular junctions, nanotubes, graphene, molecular electronics junctions, nanowires, etc., as

well as for studying the properties of complex interfaces, high-k materials, and magneto-tunnel junctions. A particular focus is the ability to handle

large scale systems, and the main engine offers unique capabilities to compute tunnelling/leakage currents, transistor characteristics and other

transport properties.

The software platform contains a graphical user interface,

Virtual NanoLab,

which gives users the power to extend the functionality via plug-

ins and connects to ATK as well as other simulation engines (e.g. VASP, Quantum Espresso or LAMMPS). The software is used by leading universities,

government labs and companies around the world, and over 1,000 scientific articles have been published based on ATK since 2008.