Vår 2012

KJE-3102 Computational Chemistry - 10 stp

The course is administrated by

Institutt for kjemi

Type of course

Theoretical and practical subject.

The course is available as a singular or elective course independent of study program, also to exchange students and free-movers.

The course is offered on condition that a minimum number of students register for the course.

Course overlap

KJE-8102 Computational Chemistry 10 stp

Course 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.

Language of instruction

The language of instruction is English and all of the syllabus material is in English. Examination questions will be given in English, and may be answered in either English or a Norwegian/Scandinavian language.

Teaching methods

Lectures: 30 h Computer exercises: 45 h

Assessment

4 reports will be evaluated underway. Results from these will contribute 50% of the final grade for the course. The remaining 50% will be assessed from an oral examination at the end of the course. Lettergrades (A-F).

It may be required that the student attend a minimum number of the seminars given.