Introduction to Computational Chemistry
Prerequisiti
The course is recommended for the first year of the internal undergraduate program. It is also accessible to external students throughout the three years of the Bachelor's degree. There are no prerequisites for attending the course or taking the exam.
Programma
Conceptual introduction to computational methods in chemistry.
Classical vs quantum-mechanical approaches: fundamental concepts.
Search for minimum-energy geometries: conceptual aspects.
Selected examples of the use of computational programs for molecular studies.
Obiettivi formativi
The course aims to provide the first conceptual foundations for the use of computational methods in the study of simple chemical problems.