Modeling
Written report
This module aims to train the engineering student in quantum and classical modelling of complex systems (molecules, solids, biomolecules) of industrial interest. The methods used to describe spectroscopic properties (IR, Raman, UV-Vis, NMR and EPR) and chemical reactivity are particularly targeted.
Particular interest is given to simulation methods currently used in the industrial and application field, and their use is illustrated by courses and seminars given by two external speakers from public or private institutions presenting their activity, in order to strengthen the link between modelling and the business world.
The training is based on alternating course and TP sessions, which allow students to put into practice the methods described in class using software of academic and industrial interest.
The students must be able to :
– choose the most suitable method according to the properties and system targeted
– interpret the results obtained and their limitations
– interact with modelling experts
Teaching language: FR
Documents:
handouts
