Programa

11 de Junho - Segunda-feira

09:00-09:30 Registro dos participantes
09:30-10:00 Abertura (Prof. Clarissa da Silva - UFRRJ / Prof. Pierre Esteves - UFRJ )
10:00-10:30 Apresentação - The academic and scientific trajectory of prof. Marco Antônio Chaer Nascimento Prof. André Gustavo Barbosa - UFF
10:30-11:30Advances in the methods of quantum mechanics with applications to catalysis, materials science, fuel cells, and superconductivity
Prof. William Goddard III - California Institute of Technology (EUA)
11:30-12:00Coffee break
12:00-12:40The impact of computational theory to heterogeneous catalysis: the mechanism of the Fischer-Tropsch reaction
Prof. Rutger A. van Santen - Eindhoven Institute of Technology (Países Baixos)
12:40-13:20Exciting world of theoretical studies of chemical reactions - from gas phase reactions to nano structures, catalysts, and enzymatic reactions
Prof. Keiji Morokuma - Kyoto University (Japão)
13:20-14:50Almoço
15:00-15:40Against NICS
Prof. Paolo Lazzeretti - University of Modena (Itália)
15:40-16:20Multiradical systems the correct way: multireference calculations using COLUMBUS Prof. Hans Lischka - Texas Tech University (EUA)
16:20-16:50Coffee break
16:50-18:00Sessão de Posters
19:00Jantar Oficial

12 de Junho - Terça-feira

09:30-10:00 Inner-shell electron energy loss spectroscopy and generalized oscillator strength at high momentum transfer. Prof. Cassia Turci - UFRJ
10:30-11:00Solvents in Molecular Properties and Spectroscopy. Passive and Active Roles.
Prof. Sylvio Canuto - USP
11:00-11:20Coffee break
11:20-12:00Towards the Development of a Molecular Mechanics Based Exclusively on Quantum Mechanics. Prof. Alfredo Simas - UFPE
12:00-12:20The molecular orbitals in density matrix functional theory
Prof. Mario Piris - University of the Basque Country (Espanha)
12:20-12:40Kinetic modeling of the competence between methyl and hydrogen scission of propane and the β-scission of the propyl radical using density funcional methods and chemical models Prof. Oscar Ventura - Universidad de la República (Uruguai)
12:40-14:10Almoço
14:20-14:40Molecular charge densities: fundamental aspects with applications to energetic materials and catalysis Prof. Itamar Borges - IME
14:40-15:20Recent advances in computer-assisted probe discovery at LU/TBRRI
Prof. Wely Floriano - Lakehead University (Canadá)
15:20-15:40Coffee break
15:40-16:00The trouble with benzene
Prof. Thiago Cardozo - UFRJ
16:00-16:30How should the electronic structure look like to have an efficient organic solar cell? Prof. Mario Barbatti - Max-Planck Institut (Alemanha)
16:30-17:30Foto Oficial / Encerramento (Prof. Claudio Costa Neto - UFRJ)