Applications

An second aim with the network is to utilize the developed theoretical toolbox for predicting and characterizing molecular materials with special electronic and magnetic properties.

The network will focus on simulations of materials with special photonic and optical properties, for instance multi-photon absorption properties for optical limiting; on designing materials for applications involving multi-harmonic generation; on molecular systems with large polarizability anisotropy for possible photorefractive applications; on molcules and quantum dots with special magneto-optical properties. Established collaboration with experimental research groups both for synthesis and the characterization of the materials should be exploited.

Theoretical Chemistry, MOLPROP

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