Professore associato
Settore scientifico disciplinare: 
U01, Piano: P03, Stanza: 3024
Piazza della Scienza, 1 - 20126 MILANO


  • 2004-2007

PhD in Chemical Sciences, University of Milano-Bicocca, Milan, Italy, under Prof. Dr. Luca De Gioia (a 6-month visiting period was spent at the laboratory of Prof. Dr. Ulf Ryde, Lund University, Lund, Sweden)

  • 2008-2009

Postdoctoral research (Humboldt Fellowship) at the Department of Chemistry, Humboldt University, Berlin, under Prof. Dr. Vlasta Bonačić-Koutecký.

  • 2009-2011

Postdoctoral research at the Biotechnology and Biosciences Department of the University of Milano-Bicocca, Milan, Italy, under Prof. Dr. Luca De Gioia.

  • 2011-2012

Junior Research Group Leader at the Department of Chemistry, Humboldt University, Berlin, Germany (within the UniCat cluster of excellence for catalysis).

  • 2012-2014

Faculty Researcher at the Department of Earth and Environmental Sciences, University of Milano-Bicocca, Milan, Italy.

  • 2015-2017

Tenure-track Researcher at the Department of Earth and Environmental Sciences, University of Milano-Bicocca, Milan, Italy.

  • 2017-present

Associate Professor, Department of Earth and Environmental Sciences, University of Milano-Bicocca, Milan, Italy.


    My scientific activity is focused on the development of theoretical models for chemical systems of environmental and biochemical relevance.
    By using tailored quantum chemical approaches and/or molecular mechanics force fields, I aim at investigating:

    - structure-function relationships in enzymatic and bioinspired catalysts for future applications in prevention and abatement of air pollution

    - adsorption and (photo)chemical transformation of low-molecular-weight molecules on particulate matter (a collaborative research effort in the context of the Departments of Excellence initiative promoted by the Italian Ministry of Education and Research)


    • Caserta, G., Lorent, C., Ciaccafava, A., Keck, M., Breglia, R., Greco, C., et al. (2020). The large subunit of the regulatory [NiFe]-hydrogenase from Ralstonia eutropha – A minimal hydrogenase?. CHEMICAL SCIENCE, 11(21), 5453-5465. Dettaglio
    • Sala, D., Cosentino, U., Ranaudo, A., Greco, C., & Moro, G. (2020). Dynamical Behavior and Conformational Selection Mechanism of the Intrinsically Disordered Sic1 Kinase-Inhibitor Domain. LIFE, 10(7). Dettaglio
    • Arrigoni, F., Rizza, F., Vertemara, J., Breglia, R., Greco, C., Bertini, L., et al. (2020). Rational Design of Fe2(μ-PR2)2(L)6 Coordination Compounds Featuring Tailored Potential Inversion. CHEMPHYSCHEM, 21(20), 2279-2292. Dettaglio
    • Breglia, R., Greco, C., Fantucci, P., De Gioia, L., & Bruschi, M. (2019). Reactivation of the Ready and Unready Oxidized States of [NiFe]-Hydrogenases: Mechanistic Insights from DFT Calculations. INORGANIC CHEMISTRY, 58(1), 279-293. Dettaglio
    • Shimamura, T., Maeno, Y., Kubo, K., Kume, S., Greco, C., & Mizuta, T. (2019). Protonation and electrochemical properties of a bisphosphide diiron hexacarbonyl complex bearing amino groups on the phosphide bridge. DALTON TRANSACTIONS, 48(44), 16595-16603. Dettaglio