Exploring advanced materials and AI
The meeting kicked off with an inspiring presentation by Francesco Matteucci, Programme Manager at EIC. He introduced the European Commission’s communication on advanced materials, highlighting their critical role in the energy transition. Matteucci emphasised the need for strategic investments, the creation of an Advanced Materials Academy, and the scaling up of new materials. He also discussed the potential formation of a dedicated partnership under Horizon Europe, with a substantial €500M budget aimed at driving industrial leadership in advanced materials.
Next, Gian Marco Rignanese from MATGENIX captivated the audience with his insights on combining modeling and machine learning for materials informatics. Rignanese traced the evolution of scientific paradigms and demonstrated how high-throughput materials screening and machine learning can revolutionise materials discovery. His presentation underscored the transformative potential of data-driven science in optimising solar absorbers and electrocatalysts, paving the way for accelerated innovation.
Alberto Bucci of JOLT rounded out the session with a forward-thinking discussion on AI-driven high-throughput screening for catalyst development. Bucci reviewed the green hydrogen value chain, emphasising the critical role of scalable and efficient electrocatalytic coatings. He highlighted the use of Design of Experiments (DoE), machine learning, and AI to enhance experimental productivity and clarity, driving home the importance of targeted research variables for effective results.
Continuing the conversation: June 27th workshop
Building on the momentum from the meeting, a follow-up workshop titled “Modeling and AI for H2 Production Materials: Common Challenges and Resources” was held on June 27th. This engaging session brought together nine researchers for an in-depth exploration of cutting-edge topics.
Swantje Pauer from E-LOBIO kicked off the workshop with an engaging overview of kinetic modeling methods for understanding and optimising electrochemical processes. She provided practical insights into dynamic kinetic modeling, using PEM water electrolysis as a case study to illustrate the investigation of oxygen evolution reactions (OER) on Ir and Ru catalysts.
Hind Benzidi from OHPERA delivered a compelling presentation on the computational analysis of intrinsic electronic properties and stability of photo-electrocatalytic electrodes. Using DFT calculations, Benzidi explored three case studies, including Fe doping in NiOOH for enhanced OER activity and the impact of defects on 2D perovskites. Her insights into water-hydroxide trapping mechanisms in CoWO4 highlighted the potential for advanced water electrolysis.
Praveen Kumar Selvam from ANEMEL wrapped up the workshop with an insightful discussion on the role of generative AI in developing novel materials for electrolysis. He contrasted AI/ML approaches with traditional Density Functional Theory (DFT) and introduced resources for learning and applying GenAI in material science. Selvam’s presentation provided a roadmap for advancing AI-driven material development.
The workshop underscored the importance of continued collaboration and innovation within the Green H2 Portfolio. Plans are in place for more workshops and focus groups after September 2024, aiming to align these activities with other Portfolio events like Vertical Webinars. This strategy will ensure broader participation and foster greater synergy among junior researchers and project participants.
Stay tuned for more updates and insights from our young scientists as they continue to pave the way for a sustainable energy future!
