Computer sciences for chemists

Here is a place to share knowledge of computing, Julia Language, Python, for application in Computational Chemistry, solving quantum mechanics problems with computers.

About me

Undergraduate student of Chemistry - Bachelor's degree at UFSC (Federal University of Santa Catarina) since 2018, performed monitoring activity of the subject of Theoretical Inorganic Chemistry in the first semester of 2019, obtaining maximum grade in her evaluation. In the second semester of 2019, she participated in the LIQIMC research group (Interdisciplinary Laboratory of Medicinal Inorganic Chemistry and Catalysis), which operates in the research of bioactive coordination compounds and is led by Professor Dr. Christiane Fernandes Horn. She is currently in the Molecular Electronic Structure Group (GEEM), oriented by Professor Dr. Giovanni Finoto Caramori, specialized in theoretical computational calculations in Quantum Chemistry and Molecular Dynamics, working with software development in Python and Julia, energy decomposition analysis (SAPT, EDA, cDFT) and DFT. She started in 2021 the BSc course in Computer Science at the University of Franca.

Evolution is cool.

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