Ph.D. in Chemical Sciences (specialization: Theoretical Chemistry and Computational Modelling), University of Perugia (2017); Advisors: Francesco Tarantelli, Paola Belanzoni and Leonardo Belpassi
M.S. in Chemical Sciences, University of Perugia (2013); Advisors: Francesco Tarantelli and Leonardo Belpassi
B.S. in Chemistry, University of Perugia (2011); Advisor: Francesco Tarantelli
Areas of Interest
Density functional theory and multiconfigurational wave function methods
Machine learning
Homogeneous and heterogeneous catalysis
Magnetic molecules and actinide chemistry
Conductive metal-organic frameworks
Experience
2021-Present: Postdoctoral Researcher, University of Chicago
2017-2020: Postdoctoral Research, University of Minnesota and University of Chicago; Advisor: Laura Gagliardi
2013-2017: Ph.D. in Chemical Sciences, University of Perugia
2015: Internship at Katholieke Universiteit Leuven, Belgium; Supervisor: Jeremy Harvey
Publications
D. Yang, C. A. Gaggioli, D. Ray, M. Babucci, L. Gagliardi, B. C. Gates Tuning Catalytic Sites on Zr6O8 Metal Organic Framework Nodes via Ligand and Defect Chemistry probed with t-Butyl Alcohol Dehydration to Isobutylene J. Am. Chem. Soc. 142, 8044-8056 (2020)
M. E. Ziebel, C. A. Gaggioli, A. B. Turkiewicz, W. Ryu, L. Gagliardi, J. R. Long Effects of Covalency on Anionic Redox Chemistry in Semiquinoid-Based Metal–Organic Frameworks J. Am. Chem. Soc., 142, 2653-2664 (2020)
C. A. Gaggioli, J. Sauer, L. Gagliardi Hydrogen Atom or Proton Coupled Electron Transfer? C–H Bond Activation by Transition-Metal Oxides J. Am. Chem. Soc., 141, 14603-14611 (2020)
C. A. Gaggioli, S. J. Stoneburner, C. J. Cramer, L. Gagliardi Beyond density functional theory: the multiconfigurational approach to model heterogeneous catalysis ACS Catal., 2019, 9, 8481-8502 (2019)
C. A. Gaggioli, L. Belpassi, F. Tarantelli, D. Zuccaccia, J. N. Harvey, P. Belanzoni Dioxygen Insertion into the Au(I)-H Bond: Spin Orbit Coupling Effects in the Spotlight for Oxidative Addition Chem. Sci., 7, 7034-7039 (2016)
