I graduated in Chemistry from the Universitat Autònoma de Barcelona (UAB) in 2002 and obtained a PhD in Theoretical and Computational Chemistry (UAB, 2007) under the supervision of Prof. M. Sodupe and Dr. L. Rodríguez-Santiago, receiving the Outstanding PhD Award (Theoretical and Computational Chemistry PhD Program, UAB) and the European Doctorate Mention. I carried out a postdoctoral stay in the group of Prof. P. Ugliengo at the University of Turin (2007-2009), and in 2010 I returned to UAB through a series of prestigious competitive research contracts. I am currently a Full Professor at UAB. I have also been a Visiting Professor at Université de Cergy-Pontoise (1 month, 2016) and Université Grenoble Alpes (3 months, 2017).
My research has always focused on the modeling of chemical processes through atomistic simulations based on quantum mechanics, using both molecular and periodic simulation techniques. During my PhD, I studied the interaction of transition metals with biomolecules in the context of peptide sequencing by mass spectrometry, where I acquired extensive expertise in quantum chemical methods for treating open-shell systems, as well as broad experience in the simulation of chemical reactivity. During my postdoctoral work, I investigated processes occurring at biomolecule-biomaterial interfaces, gaining solid expertise in computational atomistic modeling and in the electronic structure treatment of extended and complex surfaces, together with their adsorption and chemical reactivity properties. Upon returning to UAB, my expertise in surface modeling and chemical reactivity enabled me to develop an independent research line in the then largely unexplored field of Astrochemistry, particularly focused on the study of surface phenomena (adsorption, diffusion, and reactivity) involved in the formation of interstellar species on cosmic dust grains. In this area, since 2013 I have successfully secured funding from several national and international agencies, culminating in the award of an ERC Consolidator Grant (QUANTUMGRAIN: Quantum Chemistry on Interstellar Grains, 2019), the first ERC grant awarded to the Department of Chemistry at UAB.
Through my research, I am contributing to transforming the field of astrochemistry by introducing a new perspective on the surface chemistry of interstellar dust grains. My simulations are pioneering because they provide unprecedented atomic-scale insight into the physicochemical processes involved in interstellar surface reactions. This allows us to disentangle the actual role played by dust grains and address long-standing challenges in the field. Furthermore, the data generated by these simulations provide new and more reliable interpretations of astronomical observations, improving and even reformulating the models that explain the chemical composition of the Universe. In this way, I have helped place Computational Chemistry at the forefront of Astrochemistry, demonstrating that it is a central and indispensable discipline for understanding interstellar chemistry. It was precisely for this reason that I was awarded the ERC Grant, with the aim of advancing this fundamental research and fully unveiling the chemistry taking place on interstellar grains.
Since 2004, I have co-authored more than 200 peer-reviewed international publications, with an h-index of 40 and more than 6,000 citations (Scopus source), and I have delivered more than 70 invited lectures. I have supervised 9 PhD theses and several postdoctoral researchers, all of whom currently pursue successful careers in either academia or industry. My research activity is widely recognized internationally and is supported by collaborations with numerous research groups around the world. I received the 2022 RSEQ Young Researcher Award (“Group Leader” category) and the ICREA Academia 2023 distinction.
I am also actively involved in science outreach. I regularly publish popular science articles (for example, in UAB Divulga and DIVULCAT) and give talks at associations and secondary schools on astrochemistry and the origin of life. More information can be found at: https://www.quantumgrain.eu/outreach).
