The School Students will learn modern methods of quantum chemistry in solving specific scientific problems under the guidance of leading scientists. They will study the structure of molecules, intermediates and transition states involved in hydrocarbon combustion processes, in electric discharge plasma and in active substances of gas lasers using mathematical packages “Gaussian” and “MOLPRO”.The section work will involve computational resources of the Florida International University (Miami, USA), Emory University (Atlanta, USA), the Inter-University Research Centre for Theoretical Materials Science and SSAU.Particular attention will be paid to the poorly studied processes of formation and destruction of polycyclic aromatic hydrocarbons in flames.Some participants of the School will study elementary processes involving reactive oxygen intermediates (vibrational-excited ozone molecule, electron-excited one molecular delta oxygen and an oxygen atom). This section will also address the chemical and energy-exchanged processes involving the excited particles.In this section special place will be given to the mathematical methods which allow predicting possible structures of solids with the given chemical composition, calculation of physical properties of crystal structures or groups of structures, search of structures with the given set of geometrical and topological properties and search of structurally similar substances.Among the main directions of the section work there is a development of the unique software for the new materials simulation and intelligent analysis of experimental data to create an electronic databases of the new generation, heuristic prediction of physical properties of solids and development of the first expert systems in material sciences for efficient search of materials with the desired properties.The computer simulation of physical properties of materials will be carried out at the atomic and molecular level using molecular dynamics and Monte Carlo; quantum-mechanical ab initio methods for modelling and describing the properties of small-size and nano-scale structures.