Bachelor of Physics by the Institute of Geosciences and Exact Sciences of São Paulo State University "Júlio de Mesquista Filho" (UNESP). I've developed undergraduate research in the "Nanosystems Laboratory", focusing on the study of structural, electronic and vibrational properties of nanostructured materials (2019-2022). Currently a doctoral student, developing research focused on the development of density functional theory approximations for the description of molecular systems, by the Physics Graduate Program of the Federal University of ABC Region. (Source: Lattes Curriculum)
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The mechanisms that lead to efficient charge separation in donor-acceptor molecular systems are not fully established yet. They might be related to electronic states that are above the charge transfer state or boosted by local dielectric screening. Time-Dependent Density Functional Theory (TDDFT) is an excellent tool to investigate these systems, especially when large multimolecular syste…
The proposition is to carry a study about nanostructured materials that are interesting for the present Materials Science. The student will learn about methods for the calculation of vibrational and mechanical properties. One of the interests is to apply classical and quantum mechanical methods to the study of the systems of interest. Particularly, we intend to carry calculations of the v…
Organic photovoltaic devices are often composed of low bandgap molecular systems forming donor-acceptor heterojunctions. The design of more efficient and durable devices is highly guided by the reliable description of their electronic and optical properties. Density Functional Theory (DFT) and Time-Dependent DFT (TD-DFT) are among the most used approaches to theoretically predict these pr…
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