Department of Chemistry and BiologyDivision of Chemistry |
Computational ChemistryThe course "Computational Chemistry" introduces first-year masters' students into the various ways and methods used by theorists and practitioners alike for computing chemistry-related phenomena. Quantum chemistry (ab initio, DFT and semi-empirical), molecular mechanics, and statistical methods are 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. |
