Theoretical and Computational Chemistry

The course "Theoretical and Computational Chemistry" introduces first-year masters' students into the various ways and methods used by theorists and practitioners alike for computing chemistry-related phenomena. The main emphasis of the course is on quantum chemistry and related methods. Molecular mechanics, statistical methods, synthesis planning, and chemical databases are also briefly discussed.

The course includes hands-on excercises on computational modelling and analysis of the results. The importance of proper choice of methods and the limitations of the current approaches are emphasized.

For more information, please see the Estonian-language version of the homepage of the course.

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