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, 10, 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, 10, 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)