“Modeling” Research Line: Feedback, result rationalization and interpretation, supported by theoretical calculations and optimization of material design as a function of the obtained results
Task M1: Advanced computational methods (ab initio, TD-DFT …)
DC UNIMI: Ceotto M.; Lo Presti L.; Martinazzo R.; Mercandelli P.; Ortoleva E.; Tantardini G.
CNR-ISTM: Cargnoni F.; Ceresoli D.; Forni A.; Gatti C.; Soave R.; Trioni M.I.
Task M2: Rationalization of chemical and physical properties of the materials
DC UNIMI: Ardizzone S.; Mussini P.; Rondinini S; Vertova A.