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À propos de moi
PhD candidate in computational chemistry at a QS top-150 university. I run DFT calculations with CP2K for both molecules and periodic materials: geometry optimization, HOMO/LUMO and orbital analysis, ESP maps, UV-Vis and IR spectra, transition states, and adsorption on surfaces, COFs and MOFs. Every delivery includes publication-ready figures, a clear summary of the results, and a methods paragraph you can use in your manuscript. Send me your structure and goals, and I will confirm the scope and timeline before you order.... Plus d’infos