This strategic partnership aims to explore new approaches combining computational chemistry and experimental chemistry to better understand and control the mechanisms of reactions involved in sustainable processes. The goal is to contribute to a circular economy and the decarbonization of processes. Photo credit © CNRS

Rational Exploration of Catalysts for the Circular Economy and Process Decarbonization (ERACLECE)

The development of new catalysts is one of the major challenges facing tomorrow’s industry. The goal is to make better use of our resources through more efficient, less energy-intensive processes that incorporate greater circularity, and to ensure sovereignty over certain key resources. The ERACLECE Labcom will explore approaches combining computational chemistry and experimental chemistry to better understand and control the reaction mechanisms involved in sustainable processes, based on a low-carbon strategy and a circular economy.

It all began with active collaborations spanning 30 years between the Chemistry Laboratory and IFP Énergies nouvelles, which were strengthened in 2018 by the creation of the ROAD4CAT (RatiOnAl Design for CATalysis), which marked the collaboration between Pascal Raybaud, a researcher in molecular modeling at IFP Énergies nouvelles and a professor at ENS de Lyon, and researchers at the ENS de Lyon Chemistry Laboratory. From 2018 to 2024, this ROAD4CAT industrial chair represents a major milestone in the collaboration between the Chemistry Laboratory at ENS de Lyon and IFP Énergies nouvelles, featuring teaching modules and funding for doctoral and postdoctoral research focused on experimental and computational catalysis.  At the EUROPACAT conference, held in Trondheim, Norway, in September 2025, Pascal Raybaud received the 2025 François Gault Lectureship Award from EFCATS (European Federation of Catalysis Societies).

A New Milestone with ERACLECE

The challenge: How can we tailor the design of specific catalysts to targeted reactions, and how can we recycle them after use?

Catalysts are key chemical compounds that enable reactions central to the energy transition based on a low-carbon strategy (biomass conversion, CO2 utilization, or hydrogen production, etc.). These catalysts often consist of active phases containing metallic elements (platinum group metals, cobalt, etc.), which are considered strategic—or even critical—due to their growing use in multiple emerging sectors. This therefore implies not only incorporating this constraint from the very design stage of catalysts for a targeted reaction, but also being able to recycle them after a certain period of use.

ERACLECE’s response: addressing this dual challenge through fundamental research that explores approaches at the intersection of computational chemistry and experimental chemistry

The objective is, on the one hand, to better understand and control the role of active phases in the reaction mechanisms involved in new electrocatalytic or photocatalytic activation pathways for target molecules, and, on the other hand, to master the preparation and recycling steps for the catalysts used. Molecular modeling coupled with artificial intelligence will be leveraged to guide future experiments.
At the experimental level, the synthesis of innovative materials and evaluations of their catalytic efficiencies will enable the identification of the most effective systems.

Furthermore, this cross-disciplinary project opens up the possibility of exploring economic approaches (circular economy, life cycle analysis, critical metals) as well as environmental and societal impacts in order to identify the most promising avenues offered by chemistry.

And training tomorrow’s researchers through cutting-edge research: 

In conjunction with this research program, and with a focus on education, two course modules on catalysis (theoretical and experimental) will be offered as part of the Master’s programs in Materials Science (ENS de Lyon-Lyon1 University) and Catalysis and Physical Chemistry (Lyon 1 University).

“Catalysis, a field little known to the general public, represents one of the greatest socio-economic and ecological challenges. Indeed, issues as critical as strategic resources—including minerals and petroleum derivatives—environmental remediation, and energy resources depend directly on our ability to innovate in the catalysts of tomorrow. Developing new generations of catalysts, with eco-design approaches integrated from the outset, will ensure greater circularity in our economy, leading to the protection of our resources and greater self-sufficiency, while also guaranteeing processes that are more energy-efficient and have a lower environmental impact. The joint ERACLECE laboratory between IFP Énergies nouvelles and ENS de Lyon aims to leverage their long history of partnership and the pooling of complementary expertise for the benefit of this project, by exploring the latest developments in computational chemistry and artificial intelligence coupled with the most effective approaches in materials chemistry, and more specifically in nanomaterials.”

Stéphane Parola, Vice President for Strategy at ENS de Lyon

“The CNRS welcomes the creation of the ERACLECE joint laboratory, which builds on a long-standing, close, and trusting relationship with IFP Énergies nouvelles, in partnership with the École normale supérieure de Lyon and Lyon 1 University. The result of a long-term scientific partnership, this joint laboratory builds on more than thirty years of active collaboration among these organizations to explore new avenues in catalysis. By combining experimental approaches with advanced modeling, ERACLECE will help accelerate the emergence of low-carbon processes and strengthen the dynamics of the circular economy.”

Mehdi GMAR, General Delegate for Innovation at the CNRS

“Catalysis lies at the heart of the technological solutions that enable us to decarbonize the economy while promoting a more efficient use of resources. There is no doubt that the results from the LabCom ERACLECE will help advance the field of catalysis, which, while it has already led to major breakthroughs in the past, remains clearly relevant to the ongoing ecological transition. ”

Éric Heintzé, Director of the IFPEN-Lyon facility

Press contacts

• CNRS: Sébastien Buthion, responsable communication, email: sebastien.buthion [at] cnrs.fr, tel.: +33 6 88 61 88 96
• ENS de Lyon: Aude Riom, communication director, email: aude.riom [at] ens-lyon.fr, tel.: +33 6 30 14 08 38
• IFP Énergies nouvelles: David Arraou, email: david.arraou [at] ifpen.fr, tel.: +33 6 80 12 36 61 
• Lyon 1 University: Béatrice Dias, email: beatrice.dias [at] univ-lyon1.fr, tel.: +33 6 76 21 00 92

About:

The Chemistry Laboratory is a joint CNRS/ENS de Lyon/Lyon 1 University research unit, recognized for its scientific excellence in numerous areas of chemistry, including materials chemistry, ionic liquids, and the modeling of interfacial phenomena. The LCH has an extensive array of instruments, including state-of-the-art equipment (NMR, EPR, SAXS, XRD, electrochemistry, calorimeters, liquid/solid EC-STM, electron microscopy) as well as access to a high-performance data center. The LCH also benefits from cutting-edge technical services in project development and management, thereby fostering major advances in strategic sectors.

IFP Énergies nouvelles is the National Institute for Research, Innovation, and Training in Energy, Mobility, and the Environment. Its teams are driving innovation toward a low-carbon, sustainable world, from scientific concepts to technological solutions. Whether through processes, equipment, products, software, or services, its low-carbon innovations are paving the way for the energy and ecological transition and facilitating the emergence of future-oriented industrial sectors. IFPEN boldly envisions and rigorously designs solutions for the society of tomorrow.