We are looking for companies to participate in our materials research project QCMineral | QUADRIGA for the development, implementation and evaluation of atomistic material simulations of glassy and glass-ceramic SiO2-based functional materials using quantum computers.
Participation in the tendering process is possible via TED 258814-2025 · Subreport E87776137. The submission deadline is 26 May 2025 at 2 pm.
An essential task of industrial materials science research is the optimisation of macroscopic material properties and dynamic physical processes within these materials. Conventional simulation approaches – and thus the describability of physical processes in relevant materials! – come up against hard limits, for example with regard to the calculable system size or numerical accuracy.
For this reason, the QCMineral | QUADRIGA project (for Quantum Dynamics Research for Innovative Glass Applications by the DLR Institutes of Materials Physics in Space and Future Fuels) aims to utilise the potential of quantum computing for the development of technologically relevant amorphous functional materials, using SiO2-based oxide materials as an example.
To this end, we are looking for companies to develop the relevant QC software and with experience in algorithms and atomistic simulation techniques and/or data-driven development and optimisation approaches for crystalline, partially amorphous and amorphous materials.
Background
QCMineral | QUADRIGA deals with the development, implementation and evaluation of atomistic material simulations of glassy and glass-ceramic SiO2-based functional materials with the aim of exploiting potential scaling advantages on quantum hardware.
For the “ab initio” description and prediction of new material compositions and properties within amorphous and partially amorphous/crystalline solids, it is necessary to upgrade existing tools of classical HPC material simulation for an efficient and accurate description of non-crystalline materials. To this end, the QCMineral | QUADRIGA project aims to develop powerful QC/HPC hybrid simulations based on the classical HPC simulation of crystalline and amorphous SiO2 (mixed) oxides by integrating quantum algorithms, which enable realistic material science problems of industrial material development and optimisation to be fully mapped in atomistic simulations.
Complementary to ab initio simulation, the optimisation of material properties from existing data is also to be accelerated using quantum algorithms. At the end of the project, the joint project work with DLR should fundamentally enable the industrial partner not only to demonstrate the superiority of quantum hardware-based (hybrid) simulation techniques on the basis of selected material problems, but also to make this expertise available as a potential service product for industrial end customers in the future.
Specific goals and tasks
+ Classical HPC simulation and hybrid QC/HPC simulations of crystalline, partially amorphous and amorphous SiO2 (mixed) oxides.
+ Development and embedding of powerful quantum algorithms (>> 10³ atoms) in existing industrial programme packages for the simulation of periodic systems as well as amorphous and partially amorphous material modifications of functional oxide materials (glasses, glass ceramics).
+ Processing of real materials science issues in industrial research and materials development on the basis of ab initio calculations and by analysing existing data using machine learning.
We have published the complete service description under TED 258814-2025 · Subreport E87776137.
