Dr Felipe Fantuzzi is a Lecturer in Chemistry at the University of Kent, where he serves as Director of the Supramolecular, Interfacial and Synthetic Chemistry (SISC) group and Co-Director of the Kent Astrochemistry, Irradiation, Origins and Space (KAIROS) initiative. His work is strongly international in scope, with collaborations across Europe, Latin America, Africa, and India, linking theoretical chemistry with challenges in molecular science, astrochemistry, radiation science, and health-related applications.
He obtained his BSc, MSc, and PhD in Chemistry from the Federal University of Rio de Janeiro and completed postdoctoral research in Brazil, the United States, and Germany. He has held fellowships from CAPES, CNPq, the Alexander von Humboldt Foundation, and ASF-PNNL, and was awarded the Octávio Augusto Ceva Antunes Medal for the best PhD thesis.
His research has contributed to the understanding and stabilisation of unusual main-group species, particularly radical and biradical systems. This includes the theoretical description of open-shell singlet states in ligand-stabilised diboraanthracenes, as well as work supporting the isolation of low-valent compounds such as the parent aluminium(I) hydride, a neutral beryllium(I) radical, and the first monoatomic boron(0) complex.In parallel, he has developed theoretical frameworks for describing chemical bonding, with emphasis on quantum-mechanical interference and modern valence bond approaches. These contributions have enabled the interpretation of bonding in a wide range of systems, including the origin of the inverted dipole moment in boron fluoride and the role of π-distortivity in aromatic compounds.
His astrochemistry research has used computational chemistry to interpret irradiation and spectroscopic experiments on molecules and ices relevant to space, including complex organic molecules, polycyclic aromatic hydrocarbons, fullerenes, and astrophysical ice analogues. These contributions have clarified ionisation, photodissociation, fragmentation, and rearrangement pathways driven by UV, soft X-ray, ion, and electron processing, while also predicting spectroscopic signatures and candidate molecular carriers, including magnesium- and boron-bearing carbon chains, in circumstellar, protostellar, and interstellar environments.
He is involved in a range of international collaborative projects, including the MSCA Doctoral Network MS-RADAM (Multiscale phenomena in Radiation Damage), BALSA (Balloon-borne Laboratory for Stratospheric Astrophysics), MOLESs (Molecular Excited State Spectroscopy) and NUBIAN (Naphthoquinoidal Compounds for Bioimaging and Innovations Against Neglected Diseases in Brazil and Sierra Leone). He is also a founding and board member of the Europlanet Regional Hub Colombia, which promotes collaboration between Latin America and Europe in planetary science and astrochemistry.
He has published over 130 scientific articles and has an h-index above 25, with work featured in outlets such as Chemistry World, ChemistryViews, and Scilight. He is actively engaged in strengthening international research capacity and promoting inclusion and diversity in science.
Dr Fantuzzi's research focuses on the development and application of quantum chemical methods to investigate electronic structure, chemical bonding, and molecular reactivity, alongside multiscale modelling of complex systems. His work connects fundamental theory with experimentally relevant observables across chemistry and materials science.
His research is organised around three main areas:
Development of theoretical frameworks to describe chemical bonding, with emphasis on unconventional bonding patterns and the physical nature of the chemical bond in complex and reactive systems.
Investigation of molecular processes under irradiation and in extreme environments, including the formation, transformation, and stability of molecules in interstellar and circumstellar conditions, with implications for prebiotic chemistry.
Computational design and analysis of molecules with tailored properties, establishing structure–property relationships relevant to applications in energy, sensing, forensic chemistry, and biologically relevant systems, including the development of systems with catalytic and spectroscopic functionality.
A unifying theme across these areas is boron chemistry. His research examines bonding and reactivity in Group 13 compounds, and extends to the role of boron in astrochemical environments and space-related technologies. In astrobiology, this includes the study of borate species and their potential role in stabilising prebiotic molecules under early Earth conditions. In parallel, he contributes to the development of boron-based systems for applications ranging from optoelectronic materials to health-related technologies.
The Fantuzzi Group welcomes enquiries from motivated students interested in research projects in computational chemistry, particularly those driven by fundamental scientific questions in electronic structure, chemical bonding, and molecular reactivity.
Research in the group combines quantum chemical methods and multiscale modelling to address problems across chemical bonding, astrochemistry, and functional molecular systems. While some projects connect to applications in areas such as energy, sensing, and health, many are primarily guided by scientific curiosity and the aim of advancing the understanding of chemical systems at the molecular level.
Students in the group receive training in a broad range of computational techniques, including DFT, post-Hartree–Fock methods, and molecular dynamics, alongside the development of transferable skills in data analysis, scientific programming, and research communication. Many projects are embedded in international collaborations, offering opportunities for joint supervision and interaction with research groups across Europe and beyond.
Enquiries are welcome from prospective PhD students, postdoctoral researchers, and undergraduate and Master’s students interested in research projects. Candidates with a strong background in chemistry, physics, or a related discipline are encouraged to get in touch. Those interested in applying for UK and European fellowships are also very welcome to make contact to discuss potential project ideas and support.
Dr Fantuzzi leads and contributes to international collaborations linking theoretical chemistry with interdisciplinary applications across molecular materials, astrochemistry, and radiation science. His role often involves coordinating research activities, supervising students across institutions, and developing joint projects with partners in Europe, Latin America, Africa, and India.
He is actively involved in building international research networks and capacity, including initiatives that promote collaboration between the UK and partners in the Global South, and the organisation of collaborative activities such as workshops and training events.
His research has attracted support from national and international funding schemes, including awards from the Royal Society, the Royal Society of Chemistry, and European programmes, enabling the development of collaborative projects across multiple continents.
He contributes to the wider scientific community through editorial and peer review activities. He serves on the Early Career Advisory Board of ChemCatChem and as Guest Editor for Molecules and Computation. He acts as a reviewer for a wide range of international journals, including Nature Chemistry, Nature Communications, Journal of the American Chemical Society, Angewandte Chemie, and Chemical Science, as well as specialised journals in physical, inorganic, and computational chemistry. He has also reviewed research proposals for the Leverhulme Trust.
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