Master thesis (2020)
under supervision of Prof. Henrik Koch, SNS Pisa
Strong light-matter coupling in chiral cavities: signatures of enantiomers in rotational spectra
PhD thesis (since October 2020)
under supervision of Dr. S. Stopkowicz
Entwicklung unitärer Coupled-Cluster Methoden für Atome und Moleküle in starken Magnetfeldern
Publications
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- Calculation of IR Spectra with a Fully Polarizable QM/MM Approach Based on Fluctuating Charges and Fluctuating Dipoles
T. Giovannini, L. Grazioli, M. Ambrosetti, and C. Cappelli
J. Chem. Theory Comput. 15, 5495–5507 (2019) - Strong Coupling in Chiral Cavities: Nonperturbative Framework for Enantiomer Discrimination
R. R. Riso, L. Grazioli, E. Ronca, T. Giovannini, and H. Koch
Phys. Rev. X 13, 031002 (2023) - Theoretical Prediction of Closed-Shell Paramagnetism for Scandium and Yttrium Hydride
L. Grazioli, L.T. Schleicher, S. Stopkowicz, and J. Gauss
J. Comp. Chem. 45, 1215-1223 (2024 - The Approximate Coupled-Cluster Methods CC2 and CC3 in a Finite Magnetic Field
M.-P. Kitsaras, L. Grazioli, and S. Stopkowicz
J. Chem. Phys. 160, 094112 (2024)
- Calculation of IR Spectra with a Fully Polarizable QM/MM Approach Based on Fluctuating Charges and Fluctuating Dipoles
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