Research Vision
A New Era of Energy Starts at the Atomic Scale
MECS is shaping the Energy Materials Age – pushing the boundaries of research to unlock sustainable, circular energy systems.
Designing Tomorrow’s Energy
Catalysts for Change
At the heart of MECS lies a bold scientific vision: to fundamentally understand and reimagine how materials enable energy conversion and storage. We investigate what happens at the smallest scales – on surfaces and interfaces – where solar and electrical energy can be turned into clean fuels and chemicals.
By combining experimental breakthroughs with advanced modelling and AI, we aim to replace rare, costly catalysts with smarter, more sustainable alternatives. Our work lays the foundation for a future powered by renewable energy, where carbon and water cycles are closed, and fossil fuels are no longer part of the equation.
From Fundamental Insight to Global Impact
Uniting Top Minds and Methods to Drive Energy Innovation Forward
Tackling the energy challenge takes more than one discipline – it takes many. MECS brings together outstanding researchers from across Austria to decode the molecular mechanics of water splitting and CO₂ conversion. We focus on the big picture and the tiniest details, building synergies between surface science, materials chemistry, theoretical modelling, and AI.
But we don’t stop at insight. We’re turning discovery into action – connecting with industry, supporting entrepreneurship, and training a new generation of researchers ready to lead the energy transition.
MECS Research in Focus

Atomic-Level Understanding
Investigating how catalysts work at surfaces and interfaces – where energy reactions really happen.

Electro- and Photocatalysis
Developing efficient, scalable processes to turn water and CO₂ into clean fuels and chemicals.

Smart Tools
and AI
Using advanced simulations and machine learning to design next-generation materials.

From Lab
to Life
Bridging fundamental science and industrial application to shape real-world energy solutions.
Board of Directors
Scientific Leadership Driving a Sustainable Future
Meet the minds behind MECS. The Board of Directors (BOD) consists of the Director of Research (DOR) and one representative of each institution. They bring together leading researchers from Austria’s top institutions – uniting expertise in surface chemistry, electrochemistry, computational science, and energy materials. Together, they guide MECS with a shared vision: to turn fundamental discoveries into real-world energy solutions.

Günther Rupprechter | Director of Research
Günther Rupprechter is a full professor of surface and interface chemistry and Head of the Institute of Materials Chemistry at TU Wien. He is renowned for his contributions to physical chemistry, surface science, nanoscience and nanotechnology, particularly in the area of catalytic surface reactions on heterogeneous catalysts, identifying fundamental reaction steps at the atomic level by in situ and operando spectroscopy and microscopy. From 2011 to 2019, he was Speaker/Coordinator of the FWF-funded Special Research Program (SFB) “Functional Oxide Surfaces and Interfaces (FOXSI)”.
Ulrike Diebold | TU Wien
Ulrike Diebold is a professor of surface physics at TU Wien. She conducts research in experimental surface science with an emphasis on metal oxides. She is particularly interested in the atomic-scale properties of these complex materials, and in unravelling their (defect)structure/reactivity relationship. The main tool, Scanning Probe Microscopy, is complemented by area-averaging surface spectroscopies and first-principles calculations. Her research on fundamental interactions between water and oxide surfaces is supported by an ERC Advanced Grant, and she is the coordinator of the FWF-funded Coordinated Research Center TACO.


Stefan Freunberger | ISTA
Stefan Freunberger is a professor at ISTA and heading the research group Material Electrochemistry. His research interests embrace new materials and understanding reaction mechanisms in electrochemical energy storage, focusing on the redox chemistry of main group elements. This includes alkaline-ion, metal-oxygen, and metal-S batteries, as well as organic electroactive materials and electrocatalysis. The group develops in-situ and ex-situ techniques based on spectroscopy, diffraction, and microscopy to understand the basic physical chemistry occurring at the bulk and interfaces. His research has been supported by an ERC Starting and Proof of Concept grant.
Leticia González | Universität Wien
Leticia González is a full professor of Theoretical/Computational Chemistry and Scientific Computing at the Institute of Theoretical Chemistry at the University of Vienna. She is renowned for her research on electronic excited states, including the development of nonadiabatic molecular dynamical methods (the SHARC package). She and her group perform high-level quantum chemistry calculations, both with ab initio wavefunction theory and DFT, carry out dynamics simulations, including classical molecular dynamics, nonadiabatic dynamics and multiscale methods, and apply machine learning to accelerate some of these processes. The interface of all fields is leveraged to predict molecular structures with desired properties and gain a mechanistic understanding of chemical processes, in molecules, biological systems and materials.


Julia Kunze-Liebhäuser | Universität Innsbruck
Julia Kunze-Liebhäuser is a professor at the Institute of Physical Chemistry at the University of Innsbruck. Her group investigates interfacial processes to elucidate reaction pathways and mechanisms that take place at the solid/liquid interface during electrochemical energy conversion and storage processes. The research approach of the group is based on the development and application of in-situ and ex-situ analysis techniques, which are applied to systems with increasing complexity, ranging from single-crystalline model electrodes investigated under idealized conditions to more complex but well-defined nanostructured materials that could be applied in real fuel and electrolyzer cell or battery environments.
Organization
Collaboration Across Institutions, Disciplines and Ideas
MECS unites top scientists from five leading Austrian institutions: TU Wien, University of Vienna, ISTA, University of Innsbruck and the Technical University of Leoben. The cluster is led by a Board of Directors – one representative from each university plus the Director of Research – who shape the strategic direction of MECS.
Supporting this leadership is a dedicated structure of specialized units for research, training, communication & transfer, management, and early-career development. Together, they form a strong foundation for scientific excellence, collaboration, and real-world impact.
Electrocatalysis
Unit Heads
Key Researchers
Synergies
Stronger Together: A National Effort for Global Impact
The MECS Cluster of Excellence brings together four of Austria’s leading research institutions – TU Wien, University of Vienna, University of Innsbruck, and ISTA – in a shared mission to advance energy materials science. Each institution has made strategic investments in this field, from world-class infrastructure to top-tier faculty hires.
By pooling their expertise, resources, and vision, these partners have created more than just a collaboration – they’ve built a long-term, high-impact research network with international visibility and a clear goal: to help Austria lead the way in the global energy transformation.
MECS builds on a track record of successful partnerships. Many of its principal investigators have worked together in highly productive research initiatives—laying the groundwork for the scale and ambition of the MECS cluster today.






Equ(al)ity, Diversity & Inclusion
Building a Research Culture Where Everyone Belongs
At MECS, equity, diversity, and inclusion aren’t just ideals – they’re built into the foundation of our cluster. We know that diverse teams drive better science, and we’re committed to creating an environment where everyone can thrive, regardless of background, gender, or identity.
From day one, MECS has already outperformed national STEM averages in terms of gender representation – especially at senior levels. Today, 26% of our professors are women, and our teams include members from over 30 nationalities, across all gender identities and career stages. But we’re not stopping there: we aim for at least 40% female representation at all levels and are actively working to fix the “leaky pipeline”, i.e. dropping female fractions as the career levels rise, in academic careers.
A dedicated EDI officer and expert will oversee the implementation of targeted actions to support inclusive growth across the cluster.
What We’re Doing
Creating a culture that values everyone
Inclusion is a core principle, not an afterthought.
Promoting awareness and accountability
Mandatory training on diversity and unconscious bias.
Supporting families and balance
Family-friendly meeting times and childcare solutions.
Fixing the “leaky pipeline”
Focused support to advance women and underrepresented groups.
Pooling EDI strengths
Sharing and expanding best practices across all four institutions.
Systemic change
Embedding EDI in policies, leadership, and culture across the board.





















