The world’s most pressing challenges include clean energy, water security, pollution control, and sustainable manufacturing. Meeting these challenges requires new materials with properties that were once the stuff of science fiction.

In 2025, the Nobel Prize in Chemistry recognized a breakthrough that is reshaping how we design and deploy such materials (https://www.nobelprize.org/prizes/chemistry/2025/press-release/ ). The development of metal-organic frameworks, or MOFs, is not just a scientific curiosity. MOFs are a platform for innovation across industries. They have the potential to transform the way we approach materials design.

The Nobel Prize Story: Metal-Organic Frameworks (MOFs)

This year’s Nobel Prize in Chemistry was awarded to Susumu Kitagawa, Richard Robson, and Omar Yaghi for their pioneering work on MOFs. These crystalline materials are built from metal ions connected by organic molecules. The result is a vast and tuneable network of molecular “rooms.” The genius of MOFs lies in their modularity. By swapping out building blocks, scientists can create materials with tailored properties for a wide range of applications.

MOFs have already demonstrated their value in areas as diverse as water harvesting from desert air, the removal of persistent pollutants from water, hydrogen and methane storage, catalysis, drug delivery, and the stabilization of sensitive electronic components. Their ability to selectively trap, store, or transform molecules makes them a game-changer for industries that need sustainable and high-performance solutions.

Heiner Linke, Chair of the Nobel Committee for Chemistry, said, “Metal-organic frameworks have enormous potential, bringing previously unforeseen opportunities for custom-made materials with new functions.”

“The Nobel recognition for metal organic frameworks is more than a scientific milestone. It is a blueprint for action. By combining high performance computing with quantum ready methods, we can screen and refine MOF candidates with greater confidence today. We can unlock even higher fidelity predictions as quantum hardware matures.”

Julian van Velzen, CTIO and Head of Capgemini’s Quantum Lab

Beyond the Lab: The Versatility of MOFs

What sets MOFs apart is their extraordinary versatility. Here are some highlights from recent research and industrial trials:

  • Water Harvesting: MOFs can extract potable water from desert air. This offers hope for water-scarce regions.
  • Pollution Control: Certain MOFs can remove “forever chemicals” (PFAS) and pharmaceutical residues from water. Some can break down toxic gases.
  • Energy Storage: MOFs are being explored for storing hydrogen and methane. This enables safer and more efficient fuel systems.
  • Catalysis: Their tunable cavities allow MOFs to act as highly selective catalysts. This accelerates chemical reactions for cleaner manufacturing.
  • Gas Separation and Sensing: MOFs can separate industrial gases. They can capture rare earth elements from waste streams. They also serve as sensitive detectors for environmental monitoring.
  • Healthcare and Life Sciences: MOFs are being developed for targeted drug delivery. They are also used as platforms for diagnostics.

The modular nature of MOFs means that the same design principles can be adapted to solve problems across sectors. These sectors include clean technology, pharmaceuticals, electronics, and food safety.

Capgemini’s Workflow: Accelerating Materials Innovation

Turning the promise of MOFs into real-world solutions requires more than scientific insight. It demands robust and scalable workflows that bridge the gap between discovery and deployment. At Capgemini, we have developed a workflow that brings together the best of classical computational modelling, machine learning, and quantum-centric approaches. This accelerates materials design.

Key elements of our workflow:

  • High-Throughput Screening: We aim to use cheminformatics and AI to rapidly evaluate thousands of MOF candidates. This helps us identify those with the most promising properties for a given application.
  • Hybrid Computational Methods: We combine classical simulations with quantum-ready algorithms. This enables us to model complex materials with greater accuracy and efficiency.
  • Modular, Scalable Design: Our workflow is designed to be adaptable. Whether the goal is water purification, energy storage, or advanced catalysis, the same pipeline can be tuned to different industrial needs.
  • Collaboration and Validation: We work closely with industry partners and use feedback from real-world trials. This ensures that our predictions translate into practical and scalable solutions.

This approach is already being applied in collaborative projects with global leaders in energy, manufacturing, and technology. It is supported by initiatives such as DARPA’s ARC/IMPAQT program (https://www.capgemini.com/news/press-releases/capgemini-announces-new-project-with-the-defense-advanced-research-projects-agency-on-quantum-computing-for-energy-transition/). By enabling rapid, data-driven selection and validation of advanced materials, the workflow helps manufacturers reduce waste, optimize resource use, and accelerate the adoption of more energy efficient processes. As a result, it is a key enabler for more sustainable manufacturing practices across industries.

“Engineering more sustainable products and materials is a business imperative for many of our clients cross industry, as they have to meet regulation, customer needs as well as reacting to supply disruptions and material scarcity. Metal-organic frameworks are a powerful example of how advanced materials can address challenges from clean water to energy storage and environmental emission control. By combining digital workflows, data-driven insights, core engineering and ecosystem collaboration, we are helping organizations accelerate the adoption of sustainable practices and turn scientific breakthroughs into real-world impact.”

Dorothea Pohlmann, CTO Sustainability, Capgemini

Quantum Computing: The Next Leap in Materials Discovery

Quantum computing is poised to revolutionize how we design materials. While today’s quantum hardware is still evolving, its potential to simulate complex molecular systems with unprecedented fidelity is clear. This momentum is reflected across the scientific and technology landscape. The 2025 Nobel Prize in Physics was awarded for discoveries that brought quantum effects into practical electronics, laying the foundation for today’s quantum technologies (https://www.nobelprize.org/prizes/physics/2025/press-release/ ). The United Nations has declared this is the International Year of Quantum Science and Technology. TIME magazine also recognized three quantum breakthroughs among its Best Inventions of 2025, including advances in quantum navigation, room-temperature microprocessors, and next-generation chips from industry leaders. The focus is rapidly shifting from theory to real-world impact, and the race to practical quantum computing is accelerating across industries.

Capgemini’s workflow is fully deployable today using existing classical high-performance computing resources. Organisations can already benefit from advanced materials screening and design with our current platform. As quantum hardware matures, we are ready to seamlessly integrate quantum algorithms into the same workflow. This approach ensures that every organisation can access state-of-the-art materials innovation now, while staying prepared to harness the next generation of quantum-powered capabilities as they become available.

By integrating quantum computing into our materials design pipeline, we can:

  • Explore larger and more complex chemical spaces.
  • Achieve higher accuracy in predicting material properties.
  • Reduce the time and cost from concept to deployment.

This positions Capgemini and its partners to lead in the next era of materials science. Digital and quantum technologies will work together to drive progress.

Looking Ahead: From Nobel Science to Industrial Impact

The Nobel Prize for MOFs is a testament to the power of materials innovation. The real story is just beginning. By combining modular materials like MOFs with advanced computational workflows and quantum computing, we are opening new frontiers in industrial design, sustainability, and performance. These digital-first approaches not only speed up innovation but also support more sustainable manufacturing by minimizing trial-and-error, reducing material waste, and enabling smarter, cleaner production methods.

Capgemini invites partners across sectors to join us in this journey. From ideation to implementation, from digital simulation to real-world deployment, we can turn Nobel-winning science into solutions that shape a better and more sustainable future for all.