Molecular modeling using force fields

The aim of the course is to deepen the student's ability to recognize a problem solvable by molecular modeling methods. In the course of the subject will be discussed especially the questions of input experimental data, selection of appropriate modeling strategy, and interpretation results obtained by molecular modeling. Since the molecular modeling using force fields is used, the course is not focused on the electron properties of materials, but on their structure and behavior under given conditions. Practical exercises, which are the main content of the course, are focused on surface modification, intercalation, sorption, miscibility, but also on X-ray diffraction or infrared spectra simulation. The course will also provide students with examples of successful applications of molecular modeling methods in material research.