This workshop presents current frontiers in computational and theoretical studies of  basic processes contributing to photo-reactions: light absorption, formation and breaking of charge transfer excitations, hot carrier relaxation, and reaction dynamics at catalytic sites with heavy elements --- all perturbed by environment such as lattice vibrations and solvent polarization and, therefore treated with "open system" approach: Non-adiabatic dynamics, on-the-fly coupling, surface hopping, and density matrix equation of motion became computational tools of choice for ab initio treatment of nonequilibrium dynamics in molecules and nanostructures. The open challenge arises in processes with spin-orbit coupling, optical excitation and motion of nuclei are of equal importance. Further theoretical advances are needed for interpretation of experimental data and applications ranging from charge transfer in semiconductor nanocrystals for photovoltaics and surface reactions for photocatalysis to spectroscopy of color centers in laser crystals, transition metal and rare earth ions in solid host matrices and soft coordination complexes, molecular magnets, and biolabels. Workshop targets conversion of experimental probes and computational descriptions of excited electronic state and reaction dynamics of broad range of nano-structured materials  for photo-catalytic and photovoltaic applications.