Laura Grazioli

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

      1. 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)
      2. 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)
      3. 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
      4. 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)