The course aims to train the students in the use of numerical tools, through the analysis and solution of cases of real interest in chemistry, following a "learn-by-practice" approach. In detail, the course will propose four pillars. Each pillar aims at solving a mathematical problem with direct applications in chemistry:
- statistical treatment of chemical measurements
- treatment of vectors and matrices in the 3d space for the analysis of molecular structures
- diagonalization of hermitian matrices for the numerical solution of the model of molecular orbitals.
- numerical solution of one-dimensional differential equation for kinetic reaction models.
- Titulaire: Claudio QUARTI