CV Lattes
Universidade de São Paulo (USP). Instituto de Física (IF) (Institutional affiliation from the last research proposal) Birthplace: Brazil
Vice President for Research of the University of São Paulo. Member of the Brazilian Academy of Sciences, The Academy of Sciences of the State of São Paulo, and the The World Academy of Sciences (TWAS). He has been commended with the Ordem Nacional do Mérito Científico (Highest Brazilian Recognition of Scientific Achievements). He is the co-editor of the Spectrochimica Acta Part A and member of the editorial board of several internationally reputed scientific journals. (Source: Lattes Curriculum)
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The research project proposes the computational implementation of a method to optimize transition structures for the study of chemical reactions in solution using an atomistic description of the molecular environment of the reaction through computer simulation methods.This method explicitly takes into account the electronic structure of the system of interest (where the reaction occurs) t…
This project intends to calculate from first principles the structural properties like the energy levels, transition properties, linear and non linear response properties like the static and dynamic polarizabilities of free atomic systems as well as the systems embedded under external environments like that of weak and strongly coupled plasma. In addition our quantum chemical calculation…
(Only some records are available in English at this moment)
The nucleic bases are know to be few fluorescent, making them higly stable photochemically. However, small chemical modifications in the nucleic bases can generate highly fluorescent compounds. The emissive analogues have significant applications in the biotechnology field when used as fluorescence probe. The solvent effects are taking account through of the combined use of the sequential…
This project aims the study of hyperpolarizability of molecular systems. The computational theoretical methods which will be used here were developed for isolated (gas phase) as well as for liquid phase systems, that is, in solvent medium. Nonlinear optics molecular systems are of interest in this project. The theoretical methodology used here will provide us new perspectives related to t…
Two-photon absorption is a nonlinear optical process that enables development of new technologies in different application areas, such as: data storage, fluorescence microscopy, microfabrication, photodynamic therapy, and others. Possible candidates for this photonic processe are organic molecules with charge transfer between donor and acceptor groups upon excitation. The compounds in th…
(Only some records are available in English at this moment)
This project aims at studying the photophysics of heavy atom modified nucleobases. Specially, we shall focus on the 6-selenoguanine (6SeGua) molecule, which derives from guanine by replacing the oxygen by a selenium atom (figure 1). This type of compound is of interest because the triplet state population is remarkably enhanced. A priori, it can be used as photosensitizer in photodynamics…
The project aims at simulating the electric field-induced second harmonic generation (EFISHG) responses of ions pairs in low dielectric constant solvents. The EFISHG technique is a wellknown technique to determine the first (b) and the second (g) hyperpolarizabilities of compounds in solutions. However, owing to the application of an external static electric field necessary to break the c…
In this project, we will make applications of the Free Energy Gradient Method, developed in Nagoya University, combining it with the hybrid methodology Sequential-QM/MM, developed in our group, for study the non-radiative decay of organic molecules in solution. (AU)
(Only some records are available in English at this moment)
| 32 / 16 | Completed research grants |
| 35 / 7 | Completed scholarships in Brazil |
| 6 / 4 | Completed scholarships abroad |
| 73 / 27 | All research grants and scholarships |
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