spring 2012
KJE-3102 Computational Chemistry - 10 ECTS

  1. Homepage
  2. Course catalogue
  3. Computational Chemistry

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

If you pass the examination in this course, you will get an reduction in credits (as stated below), if you previously have passed the following courses:

KJE-8102 Computational Chemistry 10 stp

Course content

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.

Recommended prerequisites

KJE-3101 Quantum Chemistry

Language of instruction and examination

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.

Recommended reading/syllabus

Syllabus and reading list are available in Fronter, or by contacting the teacher or the student adviser.

Error rendering component

  • About the course
  • Campus: |
  • ECTS: 10
  • Course code: KJE-3102