Quantum Computers Could Revolutionize Material Development: DLR Quantum Computing Initiative Supported by d-fine and planqc
The consulting firm d-fine and quantum computing manufacturer planqc have been commissioned by the DLR Quantum Computing Initiative (DLR QCI) to advance the development of new materials. Within the DLR QCI project QuantiCoM, they leverage the strengths of quantum computers to enhance simulations of highly complex materials and develop industrially relevant solutions.
The development of new materials is a key driver of innovation in industry and science. However, conventional methods for simulating highly complex material properties are reaching their limits. This is where the DLR QCI project QuantiCoM, led by the DLR Institute of Materials Research and the DLR Institute of Materials Physics in Space, comes into play. The project uses quantum computers to drastically reduce development times, accelerating the identification of new materials. The new methodologies will benefit material science, materials engineering, and industries such as aerospace and automotive.
In the tenders for QuantiCoM | QALPHAD and QuantiCoM | AMQS, the DLR QCI sought contractors to support the advancement of quantum computing-based material simulations. d-fine and planqc won both contracts with their outstanding concepts. To execute the projects, they have enlisted the additional expertise of simulation specialist ExoMatter and the advisory support of Europe’s leading aerospace company Airbus.
Together, they are working on practical solutions for industrial applications, including the development of lighter materials for aerospace to reduce fuel consumption and highly durable materials that enhance the longevity of aircraft components.
“Using quantum computers in the QuantiCoM project offers us a unique opportunity to conduct complex material simulations that not only advance science but also provide real, practical solutions for the industry,” says Dr. Sabine Matysik, Quantum Computing and Modeling Expert at d-fine.
“Whether for energy storage, aerospace, or high-performance materials, the accelerated development of new materials using quantum computers will drive numerous innovations that contribute to sustainability and growth,” says Dr. Alexander Glätzle, CEO and Co-Founder of planqc. “We are very excited to support the DLR Quantum Computing Initiative together with strong partners in the QuantiCoM project.”
“Accelerating material research and conserving resources is very important to us. We are therefore pleased to contribute to the advancement of material simulations with our powerful digital platform and material data,” says Dr. Josua Vieten, CEO and Co-Founder of ExoMatter.
QuantiCoM | QALPHAD: Precisely Predicting Material Properties
QuantiCoM | QALPHAD explores how quantum simulations can improve the accuracy of material property predictions. A key industrial application is the optimization of lightweight alloys for structural components. In aerospace, component weight is critical, and lightweight alloys that provide high strength with minimal weight are essential for reducing fuel consumption. Improving such materials is therefore of great importance for the future of aviation.
For QuantiCoM | QALPHAD, project participants aim to develop a quantum computing-based approach built on the well-established CALPHAD method (Computer Coupling of Phase Diagrams and Thermochemistry). CALPHAD is used in materials science to predict the thermodynamic properties and phase behavior of multi-component material systems.
However, classical calculations of input data for the CALPHAD method reach their limits when dealing with strongly correlated materials—those in which electrons interact intensely. This is where quantum computers come in: they offer an exponential advantage in simulating such strongly correlated materials compared to classical methods.
Although currently available quantum computers are not yet powerful enough to fully simulate realistic materials, the project team is leveraging so-called quantum embedding methods to harness the strengths of quantum computers effectively. This approach divides the simulated material system into two regions: active spaces containing strongly correlated electrons, whose behavior is calculated on a quantum computer, maximizing its potential, while the surrounding environment continues to be computed using classical methods where they are sufficiently accurate.
QuantiCoM | AMQS – Interactions of Water and Hydrogen with Metals
QuantiCoM | AMQS investigates how quantum computers can better simulate the interactions of water and hydrogen with metallic surfaces to improve understanding and contribute to the development of new metallic materials. Two key applications are at the forefront: enhancing hydrogen storage for aircraft propulsion concepts and improving corrosion protection for aerospace components.
Water serves as a versatile solvent but can negatively affect material durability due to weathering. Hydrogen, a key energy carrier used in various chemical processes, can weaken materials through hydrogen embrittlement. The project aims to explore how protective coatings or surface modifications can enhance the durability of components exposed to extreme environmental and chemical conditions in aerospace applications.
To simulate the properties of metals and the interaction of small molecules at and within their surfaces, periodic systems must be examined. These can vary in size and computational complexity. Once again, classical simulations of strongly correlated systems reach their limits, which quantum computers can help overcome.
In aviation, materials that can withstand extreme environmental influences and chemical processes are essential. The project’s findings could contribute to the development of more resilient materials and significantly increase the longevity of aircraft components.
About d-fine
d-fine is a European consulting firm specializing in analytical and quantitative challenges and the development of sustainable technological solutions. With over 1,500 employees from scientific backgrounds and extensive practical experience, d-fine delivers tailored, efficient, and sustainable implementations for more than 200 clients across all economic sectors. d-fine.com
About planqc
planqc develops quantum computers based on neutral atoms, offering the fastest path to scalable quantum processors for industrial applications. Founded in April 2022 in Garching near Munich by Alexander Glätzle, Sebastian Blatt, and Johannes Zeiher, planqc is the first spin-off from the Max Planck Institute for Quantum Optics under the Munich Quantum Valleyinitiative. The company leverages a strong partnership with the Max Planck Institute and builds on decades of leading research in neutral-atom quantum technology. In its Series A round, planqc raised €50 million, led by CATRON Holding and DTCF, with support from Bayern Kapital, the Max-Planck Foundation, UVC Partners, Speedinvest, and a BMBF grant. planqc.eu
About ExoMatter
The ExoMatter Materials R&D platform enables material researchers and developers to identify the best materials for any application. The platform is based on material data from a variety of scientific simulations, processed using materials science simulations and AI by ExoMatter. It provides access to a wide range of physical, chemical, and mechanical properties, as well as sustainability and cost metrics for search criteria. exomatter.ai
About the DLR Quantum Computing Initiative
The DLR Quantum Computing Initiative (DLR QCI) brings together research, industry, and startups to collaboratively develop quantum computers, manufacturing technologies, and relevant applications. To support this, the DLR QCI provides technological infrastructure, workshops, and office spaces at two innovation centers in Hamburg and Ulm. This fosters a strong ecosystem for the industrialization of quantum computing in Germany, funded by the Federal Ministry for Economic Affairs and Climate Action. qci.dlr.de
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