Poslední úprava: RNDr. Kateřina Ušelová, Ph.D. (31.01.2022)
The course Theoretical Methods in Chemistry provides an overview of basic techniques that are common in
different fields of theoretical chemistry (such as quantum and computational chemistry, chemical kinetics,
chemical and statistical thermodynamics, chemoinformatics, molecular modeling). After explaining the theoretical
background of major topics (such as electronic structure of atoms and molecules, ensembles in statistical
thermodynamics, reaction rates in chemical kinetics, …) the course describes how the resulting problems can be
solved mostly using numerical methods on a computer. The course is supplemented by a practical workshop.