The research activity along this topic is devoted to explore and to model new phenomena in the frontiers of physics and chemistry. Examples of this line are: i) the modelling of structural and dynamic properties at atomistic level using simulations conducted on in-house hardware, based on Classical Molecular Dynamics and X-ray/Neutron scattering driven Reverse Monte Carlo; ii) the modelling of generation of hot-phonons by ultrafast pump-probe experiments in complex materials; iii) the study of quantum reactivity in ultra-cold conditions using non-adiabatic wave packet dynamics and hyperspherical ab-initio dynamical methods.
Molecular Dynamics & Reverse Monte Carlo of amorphous systems Hot-phonon dynamics Quantum Reactive Scattering
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