VP, Program Development & Strategic PartnershipsHead, Rare Disease Center of Excellence

• Studied the formation, growth and properties of endohedral metallofullerenes by means of quantum chemical calculations and experiments. • Density Functional Theory calculations (ADF, Turbomole, Gaussian) to find the lowest-energy structures of a broad range of carbon cages and clusters trapped in the carbon networks. • Semi-empirical calculations (AM1, DFTB) for large set of calculations. Developed and implemented codes in order to create the inputs, run the calculations, and analyze the outputs automatically (10,000+ structures in some cases). • Simulations of UV-vis spectra by means of TD-DFT.• Car-Parrinello Molecular Dynamics (CPMD) evaluation the motion of the trapped clusters, added atoms, atom exchange reaction and growth processes. • Created a custom code implementing thermochemistry in order to compute the molar fractions of different isomers at a given range of temperature to include the temperature effects on the formation of endohedral fullerenes. • Performed opological analysis of large set of isomers finding the growth route for a broad range of fullerene sizes. Created a code to topologically classify a given set of fullerene cages. • Developed a new computational strategy for the study of large sets of isomers.• Created codes and scripts for the analysis of big data and the generation of input files.• Promoted the collaboration with experimental groups to take advantage of a theory-experiments synergy that helped for the publication in high impact journals.

• Determination of ions by Liquid Chromatography (LC).• Detection of inorganic contaminants by ICP-MS.• Quantification of organic contaminants by means of GC-MS. • Physicochemical analysis of water samples. pH, conductivity, temperature, suspended solids, dissolved oxygen and alkalinity. • Data analysis and data base managements using LIMS. • Calibration and maintenance of the laboratory equipment. • Supported the chemical storage and purchase department. • Guided the capitation plant workers on the calibration and use of in situ analysis kits. • Supervised the installation of chemical analysis equipment in the ELSA pilot plant (reverse osmosis water treatment plant). • Mentored prospect QC analysts.