We were looking for contractors for the development, realisation and evaluation of atomistic material simulations of functional glassy and glass-ceramic oxide materials. HQS Quantum Simulation with MS1P was awarded the subcontract for the QCMineral | QUADRIGA project.
Together with the QCMinereal team of the DLR Institute of Frontier Materials on Earth and in Space and the DLR Institute of Future Fuels, HQS will pursue three goals:
– classical HPC simulation and hybrid QC/HPC simulations of crystalline, partially amorphous and amorphous SiO2(mixed) oxides,
– the 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), and
– the 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.
This approach should make it possible to fully map realistic material science problems in industrial material development and optimisation in atomistic simulations. Complementary to the 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 enable the contractor 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.
HQS Quantum Simulations
The start-up from Karlsruhe specialises in the development of modern software applications for the simulation and analysis of materials at quantum level. With its solutions, it aims to open up new possibilities for accurately and efficiently predicting and analysing materials.
