Research: Work Packages

 

DREAMS  aim at the development of integrated approaches that combine the description of local/short-time and global/slow-motion regimes. As a matter of fact, intrinsically fast processes such as electronic excitations are often followed by slow motions related to structural relaxation. At the same time, fast (electronic, vibrational) processes are affected by the slow fluctuations of the local environment. While this last effect is often “static”, it nonetheless requires a dynamic approach for a realistic simulation. In more general terms, intermediate steps can be envisaged, where the characteristic times for the evolution of the system and of the environment cannot be separated (relaxation through specific environment/solute interactions).

The project is organized in a series of interlocking time-scales encompassing specific spectroscopic phenomena, starting from ultrafast electron-driven processes and reaching to slow motions underlying magnetic resonance spectra line shapes. 

The proposed methodological developments  are organized through Work Packages and specific objectives/tasks (T).

Work Package I: SPACE: structure and properties

Work Package II: TIME-simulation of spectroscopic signals

Work Package III: Development of Active “Smart” Materials