Professor Dr. Carlton A. Taft is a full professor at CBPF, Rio de Janeiro, Brazil. He works in multidisciplinary areas with focus on theoretical-computational simulation, physical/chemical/biological/engineering applications in Molecular and Material Sciences.Doctor Sergio R. de Lazaro is an adjunct professor of chemistry and materials science at the State University of Ponta Grossa (UFPG). His research interests are in the field of computational chemistry, quantum chemistry, surface, morphology, magnetic oxides, ferroelectric, dielectric, superconductors, density functional theory (DFT), and applications of novel advanced materials from a combination of experimental and theoretical approaches.