AI Cooperation Algorithmiq And the ISC Usher in A New Era of Materials Development

Find out here what the new cooperation between Algrorithmiq and the Fraunhofer Institute for Silicate Research (ISC) in Würzburg (Germany) is all about ...

Affordable medicine, rising energy prices and dependence on strategic sources of raw materials are just some of the plagues of our time. New materials also play a central role in many current issues. However, traditional methods of material development take time to produce the desired results. The Fraunhofer Institute for Silicate Research is therefore working on accelerating development approaches ("Materials Acceleration") based on digital methods, machine learning and artificial intelligence (AI), as the report continues. Additional acceleration potential and a deeper exploration of the existing material space are expected through the use of quantum computers. The ISC has now signed a Memorandum of Understanding (MoU) for further collaboration with the Italian company Algorithmiq, which has proven expertise in quantum computing. In particular, the Italians' quantum computing concept, which has so far been used in the life science sector, is to be specifically extended to chemical material development.

Reaching Beyond the Existing Material Space Limits

The Fraunhofer Institute in Würzburg (Germany) has extensive experience in the chemical synthesis of very different materials. However, as already mentioned, traditional laboratory syntheses are time-consuming! For example, a new material approach requires numerous series of tests until the desired material and processing properties are achieved. Digital methods offer the opportunity to speed up development processes. Simulations and calculations of structure-property relationships allow unsuitable variants to be eliminated very quickly, while promising candidates can be identified in a more targeted manner. However, the underlying processes are highly complex, as the complete description of the dynamics of quantum mechanical multi-particle systems takes a relatively long time, even on today's high-performance computers. Quantum computing could, however, significantly accelerate the search for particularly resource-efficient high-performance magnetic materials ("rare earth lean magnets" or "gap magnets") and explore the available material space in unprecedented depth.

Classical Computer And Quantum Computer Hand in Hand

As mentioned, Algorithmiq is a quantum computing company from Milan that specializes in developing quantum-native algorithms for drug research and molecular simulation. The core objective is to calculate both the properties and the dynamics of molecules much more accurately and efficiently than is possible with classical simulations (such as quantum chemistry or molecular dynamics simulations). To ensure that the quantum algorithms, which are specially tailored to chemistry and life science issues, already work on today's quantum computers, which are still prone to errors, the team relies on hybrid methods. These involve a conventional computer and a quantum computer working together, as explained. The quantum computer then calculates particularly difficult quantum effects in molecules. The classical computer controls the optimization and evaluation. The methods are designed in such a way that they utilize typical structures and laws from chemistry in order to provide the most reliable information possible about molecules and their properties despite hardware errors.