CV Lattes
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Universidade de São Paulo (USP). Instituto de Química (IQ) (Institutional affiliation for the last research proposal) Birthplace: Brazil
Rafael Maglia de Souza has a PhD in Chemistry from the University of São Paulo (FFCLRP-USP). During his doctorate, he spent a year (2018 - 2019) doing an internship abroad in the group of Prof. Dr. Mikko Karttunen, at the University of Western Ontario (UWO), Canada. In addition, he holds a bachelor's degree (2014) and a master's degree (2016) in Chemistry from FFCLRP-USP. He has experience in Physical-Chemistry, with an emphasis on Computational Chemistry, especially in atomistic and coarse-grained modeling (development and calibration of force fields at the molecular mechanics level) and computational simulation of ionic liquids and soft matter systems. (Source: Lattes Curriculum)
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By the end of 1990´s and beginning of 2000´s, there was a sharp increase in the scientific literature about Ionic Liquids (IL). From the 2010´s, another kynd of alternative solvents, although closely related to ILs, starts drawing attention to the scientific community: the Deep Eutectic Solvents (DES). The DES are prepared from many different solid salts at room temperature that lead to a…
Computational simulation is an indispensable tool to investigate dynamic processes and interactions mechanisms at the molecular level. The usefulness and importance of molecular simulations were recognized in the 2013 Nobel Prize in Chemistry for M. Karplus, A. Warshel and M. Levitt for "the development of multiscale models for complex chemical systems."In this project, models will be dev…
Among the various configurations of fuel cells, direct alcohols fuel cell (DAFC) are emerging as a highly promising technology. In this research we propose to investigate the oxidation of ethanol and glycerol. Among the various types of alcohols used as fuel glycerol which can be catalytically converted into energy by oxidation of its three functions alcohol (OH). Thus, besides being obta…
Ionic liquids are salts that are melted at room temperature. Different physicochemical properties can be obtained due to the immense amount of cations (organic) and anions that can be combined. There is great interest in applying this classof solvents as battery electrolytes due to their electrochemical and thermal stabilityand the ability to dissolve and conduct ions typically used in se…
| 1 / 1 | Ongoing scholarships in Brazil |
| 2 / 2 | Completed scholarships in Brazil |
| 1 / 1 | Completed scholarships abroad |
| 4 / 4 | All Scholarships |
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(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)
| Publications | 3 |
| Citations | 2 |
| Cit./Article | 0.7 |
| Data from Web of Science | |
DE SOUZA, R. M.; RATOCHINSKI, R. H.; KARTTUNEN, MIKKO; DIAS, L. G.. Self-Assembly of Phosphocholine Derivatives Using the ELBA Coarse-Grained Model: Micelles, Bicelles, and Reverse Micelles. JOURNAL OF CHEMICAL INFORMATION AND MODELING, v. 60, n. 2, p. 522-536, FEB 2020. Web of Science Citations: 1. (17/03204-7, 13/08166-5, 18/13867-6)
DE SOUZA, RAFAEL MAGLIA; LOURENCO, TUANAN C.; AMARAL DE SIQUEIRA, LEONARDO JOSE; KARTTUNEN, MIKKO; DA SILVA, JUAREZ L. F.; DIAS, LUIS GUSTAVO. Development of coarse-grained force field to investigate sodium-ion transport mechanisms in cyanoborate-based ionic liquid. JOURNAL OF MOLECULAR LIQUIDS, v. 338, SEP 15 2021. Web of Science Citations: 0. (18/21401-7, 17/26102-5, 17/11631-2, 19/23681-0, 18/13867-6, 19/18125-0)
DE SOUZA, RAFAEL MAGLIA; AMARAL DE SIQUEIRA, LEONARDO JOSE; KARTTUNEN, MIKKO; DIAS, LUIS GUSTAVO. Molecular Dynamics Simulations of Polymer-Ionic Liquid (1-Ethyl-3-methylimidazolium Tetracyanoborate) Ternary Electrolyte for Sodium and Potassium Ion Batteries. JOURNAL OF CHEMICAL INFORMATION AND MODELING, v. 60, n. 2, p. 485-499, FEB 2020. Web of Science Citations: 1. (13/08166-5, 18/13867-6, 17/26102-5, 17/11631-2)