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Marcel Swart

Marcel Swart

Universitat de Girona

Experimental Sciences & Mathematics

Marcel Swart obtained his PhD degree at Univ. Groningen under the guidance of Prof. Herman Berendsen, Prof. Gerard Canters and Prof. Jaap Snijders. After postdoctoral stays in Amsterdam, he was appointed ICREA Júnior researcher and in 2009 ICREA Research Professor at the Univ. Girona. He was elected Fellow of the Young Academy of Europe (2014-19), Fellow of the Royal Society of Chemistry (2015), and member of Academia Europaea (2019). He is Founding Member and Vice-President of the QBIC Society, and of the RSEQ-GEQC specialized group on computational chemistry. He organized the Girona Seminars on Predictive Catalysis (2016, 2018), edited the first textbook on "Spin states in Biochemistry and Inorganic Chemistry" (Wiley), was Chair of COST Action CM1305 (2014-2018), and is Director of the IQCC institute (2015-23). He participates in evaluation committees (FWO, LaCaixa), is member of editorial board member for 4 scientific journals, and is Editor for Inorg. Chim. Acta.

Research interests

He focuses on the study of electrons in transition-metals during catalysis and in the formation of nanomaterials. He paved the way and designed new density functionals which enabled him to show how electrons flow in transition metal catalysts by jumping from one spin state to another, enabling the corresponding fingerprinting through computational spectroscopy (IR, NMR, UV-Vis, Mössbauer).
His scientific excellence has been recognized through several honors and awards: he was awarded the 5th MGMS Silver Jubilee Prize for promoting young molecular modelers (2012), and was selected to contribute to “The next generation” 40 years anniversary issue of Inorg. Chim. Acta (2007). Recently, he received a special award in honor of his continuous support for advancing chemical sciences in Serbia (2017), as the first and only foreigner who has received it

Selected publications

– K. Warm, A. Paskin, U. Kuhlmann, E. Bill, M. Swart, M. Haumann, H. Dau, P. Hildebrandt and K. Ray,“A Pseudotetrahedral Terminal Oxoiron(IV) Complex: Mechanistic Promiscuity in C-H bond Oxidation Reactions”Angew. Chem. Int. Ed. 2021, 60, 6752-6756

– K. Warm, I. Monte Pérez, U. Kuhlmann, P. Hildebrandt, E. Farquhar, M. Swart, and K. Ray, “Stable, but still reactive – investigations on the effects of Lewis acid binding on copper nitrene intermediates“, Z. Anorg. Allg. Chem. 2021, 647, 1495-1502

– Brinkmeier, Alexander; Dalle, Kristian E.; D’Amore, Lorenzo; Schulz, Roland A.; Dechert, Sebastian; Demeshko, Serhiy; Swart, Marcel; Meyer, Franc, ‘Modulation of a mu-1,2-Peroxo Dicopper(II) Intermediate by Strong Interaction with Alkali Metal Ions’, J. Am. Chem. Soc. 2021143, 17751-17760

Selected research activities

In 2021 he supervised two PhD defenses (Miguel Àngel Maria-Solano, Lorenzo D’Amore); obtained three BSC-RES supercomputer grants; was invited speaker at Indian Institute of Technology Roorkee, Univ. Munich, and COST Action Chairs’ Forum; entertained ca. 700 secondary school pupils during “Un dia en la #UdGRecerca”; supervised three TFG theses and is currently supervising five undergrad students.

ICREA Memoir 2021