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Thermodynamics of self-assembly systems

Grant number: 13/12779-2
Support Opportunities:Regular Research Grants
Duration: September 01, 2013 - August 31, 2015
Field of knowledge:Physical Sciences and Mathematics - Physics - Condensed Matter Physics
Principal Investigator:Eudes Eterno Fileti
Grantee:Eudes Eterno Fileti
Host Institution: Instituto de Ciência e Tecnologia (ICT). Universidade Federal de São Paulo (UNIFESP). Campus São José dos Campos. São José dos Campos , SP, Brazil
Associated researchers: Guilherme Colherinhas de Oliveira ; Thaciana Valentina Malaspina Fileti ; Wendel Andrade Alves


Nanostructured materials have been investigated and presented with an impressive utilization potential in different technological and biomedical applications. This project aims to study self-organizing systems by molecular dynamics simulations. Among the several possible topics for study in this area, three in particular were selected: A) the investigation of peptide nanostructures such as nanotubes, nanowires and nanofibers; B) the study of the formation and properties of derivative-fullerenes based membranes C) the study of the solubilization and crystallization of fullerene C60 in ionic liquids and organic liquids. For all systems proposed for study, molecular dynamics techniques will be employed to elucidate its structure, stability, and thermodynamics. These studies may explain, for example, which the physico-chemical processes involved are important for self-organization of supramolecular systems under investigation. (AU)

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