Yan M. H. Gonçalves

Eng. Yan Marques Henriques Gonçalves

Instituto de Química
Universidade Federal do Rio de Janeiro
Av. Athos da Silveira Ramos, 149
Centro de Tecnologia, Bloco A, Sala 609
21941-909, Cidade Universitária
Rio de Janeiro – RJ, Brazil


B. Sc in Materials and Nanotechnology Engineering with a minor in Pure Mathematics (2016-PUC-Rio). Currently working at LABMMOL/UFRJ enrolled as a Master’s student in Chemistry (UFRJ). My major interests are classical forcefield parametrization and development and validation of computational methodologies for classical molecular dynamics. Other interests involving chemical/biomolecular systems include the classical calculation of thermodynamic and kinetic properties, molecular structural analysis (via classical MD and quantum calculations) and prediction of NMR and ECD spectra using DFT and TD-DFT.

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Ortiz-Collazos, S; Gonçalves, YMH; Horta, BAC; Picciani, PHS; Louro, SRW; Oliveira, ON; Pimentel, AS
Langmuir films and mechanical properties of polyethyleneglycol fatty acid esters at the air-water interface. Colloids and Surfaces. A, Physicochemical and Engineering Aspects (Print), v. 498, p. 50-57, 2016.