Course code
KJE-3102

Computational chemistry

Emnebeskrivelse

Work Load 10  credits (ECTS)

Contents The course will give an overview over important computational methods, including molecular mechanics, Hartree-Fock, semi-empirical methods, density functional theory, and the most important correlated methods. The choice of basis sets to be used for different methods and calculations will be emphasized. Emphasis will be given on the use of these methods, and computer exercises will be an essential part of the course.

Form of teaching Lectures: 30 h Computer exercises: 45 h

Compulsory teaching Ingen obligatoriske aktiviteter

Assessment Final, oral examination

Examination semester Spring

Level of course/Year of study First or second year at master's level.

Contact person/lecturer Sissel Hansen, tel: 77 64 40 80, e-mail: sissel.hansen@chem.uit.no

Type of course Theoretical and practical subject.

Recommended previous qualifications KJE-3101 Quantum Chemistry

Recommended reading/syllabus Available on request

Language of instruction Norwegian, english by request

Homepage http://uit.no/kjemi/3626/