Chemistry

1) Knowledge and understanding The use of complex and accurate simulation models of real chemical systems, which until the fifties was only a possibility, has become a reality thanks to the impressive development of calculators and calculation systems. The course aims to introduce students to the vast field of simulation techniques starting from the ab-initio calculation. 2) Applied knowledge and understanding The basic theoretical knowledge, starting from the principles of quantum mechanics applied to electronic systems will allow the students to: - understand the simulation techniques used in a literature article. - choose the most appropriate method to conduct a simulation of a chemical system. - judge the quality and limits of a simulation. 3) Making Judgments Approximately 12 hours of "hands on" practical exercises are foreseen in which, through the use of specific software and "templates" made available by the teacher, students can develop the skills to handle the most common calculation techniques on chemical systems real. They will also be able to appreciate the scale of practical complexity that must be addressed in order to produce reliable simulation techniques. 4) Communication skills The exercises carried out in class together with the teacher and the related reports will allow students to develop communication skills. 5) Learning skills This course represents an introduction to computational chemistry and in this sense provides the basic tools to access the more complex and advanced topics that typically form part of the world of frontier research in this matter.