Parallel TDDFT/DFT/MD code for the simulation of organic-inorganic hybrid materials

30 pages; International audience; We present the recent implementations in the classical molecular dynamics package DL_POLY related to the calculation of the solvatochromism and beyond the classical approximation, the features of a parallel TDDFT/DFT/MD code for the simulation of hybrid materials. As a preliminary study, we present the spectral trajectory as well as the band of the first electronic transition of indigo in methanol and chloroform.