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Computational studies of materials for energy


The visiting researcher, Dr. Mathieu Salanne, will give a plenary lecture during the 36th Annual meeting of the Brazilian Chemical Society that will be held in Águas de Lindóia - SP, from 25th to 28th of May 2013. I have suggested his participation in this meeting and the organizing committee accepted it. The 40-minutes speech will be about his last discoveries on the charging mechanism of supercapacitor from molecular simulation and has the title: "Understanding the charging mechanism of supercapacitor from molecular dynamics simulations". From 22nd to 1st of June, Dr. Mathieu will be visiting our laboratory (Laboratório de Materiais Híbridos) at UNIFESP. This visit will be very important for our group because we will work on collaborative projects that are ongoing. Hence, while Dr. Salanne will be in our laboratory, we will work on the analysis of some ab initio molecular dynamics calculations that we are performing on metals in molten salts, theme that the visiting researcher has vast experience. Furthermore, we will continue our study on molecular dynamics simulations of an ionic liquid at the interface with clay Montmorillonite, which was started last Autumn in Paris, when I visited his group. Dr. Mathieu will also give a short course about alternative sources of energy to our graduate students of the Programa de pós-graduação em Ciências e Tecnologia da Sustentabilidade. (AU)

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Scientific publications
(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)
DUARTE, DANIEL; SALANNE, MATHIEU; ROTENBERG, BENJAMIN; BIZETO, MARCOS A.; SIQUEIRA, LEONARDO J. A. Structure of tetraalkylammonium ionic liquids in the interlayer of modified montmorillonite. JOURNAL OF PHYSICS-CONDENSED MATTER, v. 26, n. 28 JUL 26 2014. Web of Science Citations: 8.

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