Prof. Max García-Melchor

Max García-Melchor received his BSc in Chemistry and MSc in Theoretical Chemistry from the Universitat Autònoma de Barcelona. Under the supervision of Prof. Agustí Lledós and Prof.Gregori Ujaque, his Master’s (2008) and PhD (2012) research focused on applying computational methods to unravel the reaction mechanisms of Pd-catalyzed C–C cross-coupling reactions.

Following his doctorate, he joined Prof. Nuria López’s group at the Institute of Chemical Research of Catalonia (ICIQ) as a postdoctoral researcher, where he investigated the mechanisms and governing factors of catalytic processes on metal oxides surfaces.

In 2014, Max was awarded the prestigious Beatriu de Pinós Postdoctoral Fellowship, enabling him to conduct research at Stanford University and the SLAC National Accelerator Laboratory in the group of Prof. Jens Nørskov, under the supervision of Dr. Aleksandra Vojvodic. During this period, his work provided critical insights into the electrochemical water oxidation reaction catalyzed by metal oxides and guided the development of high-performance catalysts for this process.

In 2016, Max joined the School of Chemistry of Trinity College Dublin as Assistant Professor in Chemical Energy Systems, where he established and led the Computational Catalysis and Energy Materials (CCEM) Group. His research combines advanced computational methods and artificial intelligence to unravel the mechanisms of homogeneous and heterogeneous catalytic reactions relevant to sustainable energy. The group strives to accelerate the rational design of efficient, cost-effective catalytic materials for renewable energy technologies. In 2022, Max was elected Fellow of Trinity College Dublin and promoted to Associate Professor. During his tenure, he served as Deputy and Course Director of the MSc in Energy Science (2020–2023), Director of the Computational with Molecular Modelling undergraduate degree (2024), and one of Ireland’s representatives at the European Federation of Catalysis Societies (EFCATS).

In 2024, Max was awarded a prestigious Ikerbasque Research Professorship, enabling his return to Spain to lead his research group at CIC energiGUNE. This leading energy research center in the Basque Country focuses on generating groundbreaking scientific knowledge and technological solutions to address global energy challenges, enhance industrial competitiveness, and promote sustainable development. Max’s group at CIC energiGUNE leverages advanced computational methods and artificial intelligence to accelerate the discovery and design of catalytic materials for sustainable chemical and fuel production.

Throughout his scientific career, he has received numerous accolades, including the Emergent Scientific Talent Award (2022) from The Catalan Society of Chemistry, the Young Researcher Award – Modality “Group Leader” – (2022) from The Spanish Royal Society of Chemistry, the Roger Parsons Medal from the Royal Society of Chemistry (2021), and the Young Investigator Award (2020) from the Organometallic Chemistry Division of the Spanish Royal Society of Chemistry.

Max has co-authored over 80 research articles in leading journals such as Science, Nature Communications, and Nature Energy, Angewandte Chemie, J. Am. Chem. Soc., and Chemical Science, as well as one book and three book chapters. His research has received international recognition, with some publications ranked as ‘Hot Papers’ by Thomson Reuters (top 0.1% of their academic fields), featured on journal covers, and highlighted in global media. To date, his work has received over 6,500 citations, with an h-index of 33.

Max is an active member of several scientific societies and serves on the advisory boards of multiple international journals.