COMPUTATIONAL METHODS FOR INDUSTRIAL CHEMESTRY)
cod. 1004372

Academic year 2011/12
1° year of course - Second semester
Professor
Academic discipline
Chimica fisica (CHIM/02)
Field
Discipline chimiche
Type of training activity
Characterising
48 hours
of face-to-face activities
6 credits
hub: PARMA
course unit
in - - -

Learning objectives

Show how chemistry related problems could be addressed
using computer aided methods
• Understanding the theoretical basis of computational chemistry
• Exploiting computer aided calculations: building input files, reading output files and
using graphical visualization)
• Critical evaluation of the obtained results

Prerequisites

- - -

Course unit content

Computer aided classical and quantum methodologies for molecular properties calculations

Full programme

- - -

Bibliography

F. Jensen "Introduction to Computational Chemistry" (WILEY)

Teaching methods

Lectures assisted by practical exercises
on selected topics

Assessment methods and criteria

oral examination

Other information

- - -