DREAMS aims at developing an integrated theoretical-computational approach for the efficient description of linear and non-linear spectroscopies of several classes of organic probes, dispersed in polymeric matrices that range in complexity from simple polyolefins all the way to large biomolecules (proteins and polysaccharides)
DREAMS aims at establishing accurate and reliable protocols to calculate (electric, magnetic and mixed electric/magnetic) linear and non-linear response properties and electronic, vibrational and magnetic spectral signals of soft complex smart materials. These protocols will then guide the identification of specific “target” molecules that, when blended in a structurally and mechanically stable polymeric matrix, can give rise to a smart super-structured material with tuneable properties.
In order to reach this objective, developments along the following lines are required:
- Elaboration of new theoretical models, to expand the scope of currently available treatments
- Definition of specific treatments for intermediate regions / regimes in the context of space- and time-multiscale descriptions
- Algorithmic implementation of the developed models / protocols in computational codes and,
- their efficient integration allowing for seamless flow of information and easy use by non-specialists.