Smart Materials & AI-Driven Innovation

At MECS, materials science drives innovation and progress in catalysis. We design intelligent, tunable catalysts that meet the evolving needs of next-generation energy systems – bringing together atomic-level design with the latest advances in AI and digital technology.

By accelerating discovery and optimization, our work enables faster breakthroughs in energy conversion and storage, helping move innovative materials from the lab to real-world applications.

Our Focus

From Smart Materials to Smarter Solutions

MECS pushes the boundaries of materials innovation. Our interdisciplinary approach is powered by close collaboration between computational intelligence and experimental validation.

  • Smart Material Design
    Using advanced computational tools, we design catalysts with atomic-level precision, tailored for specific energy applications.

  • AI Algorithms
    Our machine learning models predict how materials will perform – accelerating the discovery of catalysts with optimal reaction kinetics and long-term stability.

  • Prototype Testing
    AI-designed materials are rigorously tested under realistic conditions to confirm their performance and scalability.

  • Innovation Workshops
    We regularly bring together experts in materials science, engineering and data science to foster collaboration, new ideas and interdisciplinary breakthroughs.

Our Potential

Faster, Smarter Innovation Cycles

By blending materials science with AI, MECS is shaping a new era of catalyst design – one that responds dynamically to the challenges of a sustainable energy future.

Accelerating discovery

AI-powered design drastically shortens the time from concept to prototype.

Precision materials

Tailored catalysts for the complex needs of advanced energy systems.

From atom to application

Integrated workflows from atomic-scale design to industrial testing.

Unlocking new capabilities

Pioneering materials with unprecedented control, performance and durability.

Machine learning and advanced quantum simulations are opening new frontiers in materials science – enabling us to design catalysts with a level of precision once thought impossible.

Georg Kresse

MECS Principal Investigator

Spotlight on Success

Where Science Meets Innovation

At MECS, progress happens at the intersection of disciplines. Our teams bring together AI experts, computational physicists, materials chemists and engineers, all working toward a common goal: to design the next generation of catalysts for a clean energy future. Together, we are building the materials that will power tomorrow’s sustainable energy systems.

Learn more about our work in different fields of energy storage and conversion.