spring 2012
KJE-3102 Computational Chemistry - 10 stp
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 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.
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.
Schedule
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Lectures Spring 2012 FIRST ATTENDANCE: For information please contact Kenneth Ruud, phone 776 23101, email: kenneth.ruud@uit.no. The course is offered on condition that a minimum number of students register for the course. |