Computational Chemistry in Graduation Courses of Chemistry

Abstract

[EN] The experience of the authors on the use of computers on teaching at the various levels of the graduation, in Chemistry and Medicinal Chemistry, ranging from General Chemistry to Drug Design, passing through Computational Chemistry and other courses is presented. The capabilities of computers for revealing the microscopic, unseen, and hidden patterns at all levels of the graduation, and to show how computers are used in research on molecules, materials, and drugs, at higher levels of the graduation, are emphasized. The approach is based on simple ideas and concepts, practical laboratory work, motivational narratives, and clear feedback. New forms of clarifying complex ideas, sometimes presented in a “muddy” way, in particular for Computational Chemistry and Drug Design, are procured.