- Research Grants
PhD student at Federal University of São Carlos (UFSCar) entrant in the first half of 2014 in the Physical Chemistry area. CNPq scholarship with the research project: "Study of the electrostatic potential and the aggregation thermodynamics of micelles formed by surfactants with different hydrophilic groups", under the guidance of Prof. Dr. André Farias de Moura. Has experience in the area of computational chemistry, with a focus in molecular dynamics applied in the study of complex fluids, where he also act during graduation and master degree course, with the study of solubilization of organic molecules in sodium octanoate micelles and of the aggregation and the adsorpition at liquid-vapor interface of alkylbenzenes in diiodomethane, respectively. In addition to the surfactants simulations, he is also involved in computational studies of supramolecular polymers and nanoparticles aggregation in suspensions. He maintains a blog about computational chemistry (in Portuguese) containing both tutorials as discussions of results that are of interest in Chemistry. This blog can by acessed by the adress kalilbn.wordpress.com. In April 2012, Kalil Bernardino received from the CRQ-IV the Lavoisier Prize, being recognized as the student with the best academic performance in the of the course of Bachelor in Chemistry in the Federal University of São Carlos between 2008 and 2011. (Source: Lattes Curriculum)
Many low temperature molten salts, the so-called ionic liquids, are viscous liquids with complex phase diagrams, as glass transition or crystallization takes place depending on the rate of change of temperature and pressure. In the Laboratório de Espectroscopia Molecular, LEM/IQ-USP, we have been studying Thermodynamics, structure, and dynamics of ionic liquids by calorimetry, X-ray and...
This research project proposes a theoretical-computational investigation of complex chemical systems using molecular dynamics simulations with classical potentials and ab initio electronic structure calculations. The main goal of the project is to study the formation of stable micellar clusters in alkylbenzenes/diiodomethane binary systems, an experimentally observed phenomenon still wi...
One of the most fundamental properties of the ionic liquids (ILs) is the melting point.Although several relations can be made between the chemical structure of the ions and the melting point, their accurate prediction and explanation for ILs is far from trivial. Computer simulations are valuable tools in order to give molecular level insights over several physical properties of the ILs,...
(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)
|Data from Web of Science|