David González Narváez Email & Phone Number

As a Research Assistant, I have gained valuable experience and expertise in the field of Chemistry through my work at esteemed institutions such as the Massachusetts Institute of Technology (MIT), the University of Puerto Rico, and Texas A&M University. My research has primarily focused on studying various chemical systems and developing computational methods to analyze and predict their properties.During my time at MIT, I investigated iron-oxo systems with changing-coordinating and arrangement ligands using FT-DFT, DLPNO-CCSD(T1), and FOD analysis. I successfully visualized MR characters and minimized DFT error through extrapolations performed with FOD analysis. I am particularly enthusiastic about developing new extrapolation methods to further enhance the accuracy and efficiency of DFT and DLPNO-CCSD(T1) analysis. Additionally, I have explored alternative mathematical approaches to establish meaningful relationships and comparisons between two or more variables.At the University of Puerto Rico, I contributed to research involving the (LaCoO3)1/(SrFeO3)2 perovskite material. My primary objective was to investigate whether this material exhibits different magnetic configurations and predict the magnetic properties by altering the spin orientation. The calculations consistently demonstrated the presence of a ferrimagnetic configuration across all models, with a noticeable decrease in spin density observed in the cobalt cation.My time at Texas A&M University focused on developing simulation protocols to comprehend and forecast the behavior of redox active solutes in deep eutectic solvents under various states of charge. I successfully derived computationally relevant properties for the most stable system simulated, phenothiazine-nh2. Additionally, I conducted molecular dynamics simulations of phenothiazine and TEMPO derivatives in both bulk and solvated states within the deep eutectic solvent ethaline. Preliminary results have been promising, indicating the ability to predict functional and structural properties of interest.Throughout my research experiences, I have honed my analytical and problem-solving skills while leveraging computational tools to uncover valuable insights into complex chemical systems. I am eager to contribute to further advancements in the field, particularly by developing innovative computational methods and exploring diverse mathematical approaches.

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  University Of Puerto Rico-Cayey

  General Science