Carlo Alberto Gaggioli
The University of Chicago
Pritzker School of Molecular Engineering
5640 South Ellis Avenue
Chicago, IL 60637
Phone: (773) 834-7392
Email: cgaggioli at uchicago.edu
Former Postdoctoral Research Scholar
Education
- 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. Gagliardi
Theoretical investigation of plutonium-based single-molecule magnets
Inorg. Chem., 57, 8098-8105 (2018)
- 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)
