GEEMM - Group of Molecular Electronic Structure and Materials
Theoretical chemistry unites principles and concepts common to all branches of chemistry, using quantum mechanics‑based approaches to provide theories and explanations for chemical observations while guiding experimentalists toward specific behaviors or properties. It develops essential generalizations of modern chemistry—such as chemical bonding, reaction mechanisms, kinetics and microkinetics, molecular orbitals, orbital interactions and molecular activation, electronic structure, catalysis, magnetism, and spectroscopy. Today, theoretical chemistry plays a fundamental role across many scientific fields, primarily through computational methods for solving problems and studying complex systems. It is precisely this computational facet that our group, GEEMM website (Department of Chemistry at the Federal University of Santa Catarina, Florianópolis, Brazil.), puts into practice. We engage in the application and development of computational tools for chemistry, tackling problems in catalysis, chemical kinetics, unusual bonding situations involved in molecular recognition and self‑assembly, supramolecular chemistry, photochemistry, materials chemistry, and beyond. This website is aimed at anyone interested in computational chemistry and its applications, offering a glimpse of our ongoing research and of who we are.
Computational resources and users guide
Science Outreach Project - Qcomp
Contact
Departamento de Química, CFM
Campus Universitário Trindade, C.P. 476, 88040-900
Trindade, Florianópolis – SC – Brazil
Phone: +55-48-3721-3644/3607
luis.lacerda@ufsc.br
giovanni.caramori@ufsc.br
