Teresa Cusati

Study of the energy dissipation mechanisms between DNA and surrounding water molecules, through molecular dynamics simulations. Theoretical approaches to calculate two-dimensional infrared (2D-IR) spectra in the presence of intermolecular vibrational energy transfer.

Theoretical approaches to calculate two-dimensional infrared (2D-IR) spectra in the presence of intermolecular vibrational energy transfer.

Computational modeling of avian embryo development; theoretical studies of biochemical and biomechanical interactions in gastrulation and associated developmental processes. Development of a preliminary three dimensional epithelial tissue model and its disruption due to a carcinoma formation.

Study of the excited states dynamics of the azobenzene in solution. Computational simulations of semiclassical dynamics of the solute-solvent interaction by QM-MM approach and the solvent effects on the photoisomerization mechanism.

Study of entanglement and decoherence of a system described by the interaction between two localized (coupled) defects in a solid matrix. Study of the time evolution of the system and the possible existence of a correlation between the electronic and vibrational degrees of freedom. The study of the quantum covariance permits to establish the initial condition of the system.

Laboratory of General Chemistry 2

Theoretical study of the spectroscopic response of push-pull molecules. In particular, study of the Four Wave Mixing Signal response of π-conjugated push-pull molecules modifying the parameters describing the system, like relaxation times and force constant.

Course of General Chemistry 2

Computational chemistry

Nonlinear optics and spectroscopy

Nonlinear optics and spectroscopy