NUMERICAL METHODS IN CHEMISTRY
cod. 1005654

Academic year 2017/18
3° year of course - Second semester
Professor
Cristina SISSA
Academic discipline
Chimica fisica (CHIM/02)
Field
Attività formative affini o integrative
Type of training activity
Related/supplementary
24 hours
of face-to-face activities
3 credits
hub: PARMA
course unit
in ITALIAN

Integrated course unit module: COMPUTATIONAL METHOD IN CHEMISTRY: A PRIMER

Learning objectives

"Metodi Numerici per la Chimica" has the purpose of introducing the basic algorithms for the numerical solution of mathematical equations that describe various chemical and physical-chemical phenomena.

Prerequisites

Basic notions of mathematical analysis.

Course unit content

Numerical methods:

1) Numerical differentiation (ND)

2) Quadrature methods (QM)

3) Methods for the search of roots (RR)

4) Ordinary differential equations (ODE)

Applications:

5) Resolution of chemical kinetics equations (DN,ODE)

6) Numerical analysis of UV/Vis spectra. (ND,QM)

7) van der Waals equation of state (RR)

Full programme

Numerical methods:

1) Numerical differentiation (ND)

2) Quadrature methods (QM)

3) Methods for the search of roots (RR)

4) Ordinary differential equations (ODE)

Applications:

5) Resolution of chemical kinetics equations (DN,ODE)

6) Numerical analysis of UV/Vis spectra. (ND,QM)

7) van der Waals equation of state (RR)

Bibliography

W.H. Press et al "Numerical Recipes: the Art of Scientific Computing", 3rd Ed., Cambridge Univ. Press

Teaching methods

Oral lessons

Assessment methods and criteria

Oral exam

Other information

- - -

2030 agenda goals for sustainable development

- - -

Contacts

Toll-free number

800 904 084

Quality assurance office
Education manager

Nicola Cavirani
+39 0521 905613 - +39 0521 906148
Office E. didattica.scvsa@unipr.it
Manager E. nicola.cavirani@unipr.it

Course President

Enrico Cavalli
enrico.cavalli@unipr.it

Faculty advisor

Francesco Sansone
francesco.sansone@unipr.it

Career guidance delegate

Federica Bianchi
federica.bianchi@unipr.it

Erasmus delegates

Giorgio Pelosi
giorgio.pelosi@unipr.it
Andrea Secchi
andrea.secchi@unipr.it

Quality assurance manager

Franco Bisceglie
franco.bisceglie@unipr.it

Internships

Andrea Secchi
andrea.secchi@unipr.it