Syllabus
From simple mechanical and quantum chemical methods to empirical molecular mechanical and molecular dynamical simulations. Molecular and supramolecular structures.
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 faculty of Science, Charles University interested in molecular and supramolecular structures. The content can be adapted to the individual interest of the listeners.
Annotation
From simple mechanical and quantum chemical methods to empirical molecular mechanical and molecular dynamical simulations. Molecular and supramolecular structures.