Группа теоретической и вычислительной фотоники

Prof. Yu.V.Chizhov (group leader), O.Yu.Podkopaeva, I.V.Krauklis, A.V.Golovin, R.E.Kevorkyants, K.I.Reshetova, and M.N.Sboev
build theoretical models and perform computational modeling of metal oxide based heterogenous photocatalysis. The research is focused mainly on TiO2, ZnO, ZrO nanoclusters. Dissociative adsorption of small organic pollutants, superhydrophylicity, and other phenomena are studied. 

Ab initio (DFT) simulations are carried out with GAUSSIAN, JAGUAR, GAMESS, and other quantum-chemical software packages.