Modelling photoindued non adiabatic molecular dynamics and their underlying non linear transient spectroscopy at different spectral regimes

Gruppo Scientifico-Disciplinare

03/CHEM-02 - Chimica Fisica

Descrizione

Simulation of nonadiabatic molecular dynamics using mixed quantum–classical and fully quantum approaches for the photoinduced ring-opening process of cyclohexadiene and selected organic chromophores. Calculation of electronic coherences and simulation of TRUECARS signals. Design of control laser pulses in the NIR and other spectral regimes.1) Comparison between mixed quantum–classical and fully quantum nonadiabatic molecular dynamics simulations for selected organic chromophoric systems with multireference perturbative methods.2) Development of accurate multidimensional quantum molecular dynamics methods.3) Calculation of transient spectroscopies in different spectral regimes.4) Calculation of electronic coherences and simulation of experimental techniques and spectroscopic signals designed to measure them (e.g., TRUECARS spectroscopy).5) Design of control laser pulses in the NIR and other spectral regimes.

Sito web del bando

https://bandi.unibo.it/ricerca/incarichi-di-ricerca

Ente finanziatore

ALMA MATER STUDIORUM - UNIVERSITA' DI BOLOGNA - - DIPARTIMENTO DI CHIMICA INDUSTRIALE "TOSO MONTANARI"

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