NQTCM - Núcleo de Química Teórica e Computacional de Macaé
Instituto Multidisciplinar de Química (IMQ) - Centro Multidisciplinar (CM) UFRJ-Macaé
Federal University of Rio de Janeiro (UFRJ)
The Núcleo de Química Teórica e Computacional de Macaé (NQTCM) was created in January 2016 by Prof. Dr. Diego Paschoal and focuses its activities at the Ajuda Center of the CM UFRJ-Macaé of the Federal University of Rio de Janeiro. Currently led by Prof. Dr. Diego Paschoal and Prof. Dr. Willian Novato, the laboratory develops activities in the areas of Theoretical and Computational Chemistry, Physical Chemistry and Inorganic Chemistry. In addition, NQTCM has maintained collaboration with other research groups in Brazil and abroad.
The research projects developed at NQTCM aim to develop computational protocols for Quantum Chemistry calculations, the search for materials with potential application in photonics, and the study of transition metal complexes with potential biological application. In addition, the group has been working on studies aimed at developing drugs to combat COVID-19, developing alternative energy sources, and removing and storing toxic gases from the environment. The computational studies developed by the group involve classical and quantum methods, performing studies ranging from Molecular Docking, Molecular Dynamics simulations, Quantum Chemistry and Relativistic Quantum Chemistry calculations. Besides, in the experimental area, the group works on the synthesis of transition metal complexes. For more information about the group's research lines, click here and, if you would like more information, contact us.
