Syllabus
Students will get to know and try out work with a wide range of computational tools ranging from quantum mechanical and quantum chemical methods to empirical - molecular mechanical and molecular dynamic simulations. Suitable for all students of theoretical and experimental fields, including teaching and higher years of Facuty of Science, interested in molecular and supramolecular structures.
The content can be adapted to the individual interest of the listeners. The subject follow on the subject Quantum Theory of Molecules, and basic knowledge of chemical bond theory is required for the successful completion of these exercises.
Annotation
From simple mechanical and quantum chemical methods to empirical molecular mechanical and molecular dynamical simulations. Molecular and supramolecular structures.