Horizon 2020 - Eurostars: QuantumWise

Horizon 2020 - Eurostars: QuantumWise

Client: QuantumWise A/S

QuantumWise is a privately owned company, founded in 2008 and headquartered in Copenhagen, Denmark. QuantumWise is specialised in fast and reliable atomic-scale modeling solutions, delivered via an easy-to-use interface.

The growth and processing of materials is an integral part of the chemical and electronics industry. As the industries are introducing nanoscale technologies, the processes must have atomic-scale precision to handle important time-scale processes like atom diffusion, materials growth and degradation.

Unlike other providers in this area, QuantumWise develop its own quantum-mechanical code from bottom up. This means complete control of the methods used, and ability to modify them as needed, to add new functionality or improve the performance, etc. The result is the software package called Atomistix ToolKit (ATK), a complete package, ready to be applied to a broad array of problems within atomic-scale modeling.

Today, the commercially available atomic models can only provide a snapshot in time of the timescale relevant for growth and processing of materials.  By incorporating time scalability into common multi-scale modelling techniques it will be possible to simulate the dynamics for the long time-scales present in theses phenomena.

The objective of the Eurostars MultiModel project is to extend ATK to be the first commercial software package, which enables atomic-scale simulations of materials growth, atomic diffusion and materials reliability. In the project, the model will bevalidated against experimental data for atom diffusion in semiconductor devices and growth of thin films.   

Innovayt supported QuantumWise and its partners in securing a 6 million DKK grant from the Eurostars programme for the project.


“Writing an EU proposal is a very complex task and you need to pay attention to many details to get funding. Innovayt’s consultant guided us smoothly through the process and assisted us to iterate the proposal to obtain a very high quality. The final proposal was rated in the top 10 out of more than 300 proposals.”

- Kurt Stokbro, CEO & Founder of QuantumWise A/S

The challenge

Today, when developing new materials, the chemical and electronics industry need to rely on difficult and costly trial-and-error approaches. Commercially available atomic-scale modeling tools are either based on standard molecular dynamics, which do not model quantum phenomena, or atomic models, which only provide short snapshots in time of the relevant processes.

The result

With the new tool, it will be possible to simulate the behaviour of nanoscale systems at the timescales relevant for industrial materials processes, which will save end-users in the chemical and electronics industries significant cost and time when developing products based on nanotechnology.


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