KJM4600 – Molecular Modeling
Course description
Schedule, syllabus and examination date
Course content
What is theoretical chemistry, calculations and modeling? Molecular mechanics. Basic molecular orbital theory (MO-theory). Semi-empirical implementations of MO-theory. Ab-initio implementations of MO-theory. Correlation in MO-theory. Density functional theory. Charge distributions and spectroscopic properties.
Learning outcome
The course is designed to give student in chemistry and related subjects an introduction to the theory for modeling, and use of modeling as a tool in chemical research. Considerable emphasis will be placed on practical use of modeling and an understanding of the methods which extends beyond purely operational skills. The aim is to give the students the sufficient background to independently evaluate choice of methods and reliability of results in molecular modeling.
Admission
Students who are admitted to study programmes at UiO must each semester register which courses and exams they wish to sign up for in Studentweb.
If you are not already enrolled as a student at UiO, please see our information about admission requirements and procedures.
Prerequisites
Recommended previous knowledge
KJM2600 – Physical chemistry II - quantum chemistry and spectroscopy (continued). A minimum in mathematics corresponding to MAT1001 – Mathematics 1 (discontinued)
Overlapping courses
10 credits overlap with KJM3600 – Molecular Modeling (continued)
Teaching
The course consists of 30 hours of lectures and 32 hours of cumputer lab (eight sessions). To take the exam, all eight reports must be approved. You also have to give an oral presentation of one of the eight practical exercises. The presentation has to be approved.
Three of the reports count 50 % in all of the final evaluation. You will informed in the beginning of the semester which reports influence your final grade.
Approved exercises are only valid the semester they are written.
The first lecture/group exercise is mandatory. If you are unable to join, the Expedition Office has to be informed in advance (phone 22 85 54 46, or e-mail ekspedisjonen@kjemi.uio.no). If you fail to register as an active student for the course in either of these ways, you will loose the access to the course for the given semester.
Examination
Three reports from the practical exercises count 50 %in all of the final evalutation. You will be informed at the beginning of the semester which reports influence your final grade. Final oral exam counts 50 % of the final grade.
Approved exercises are only valid the semester they are written.
Information about examination rules.
Grading scale
Grades are awarded on a scale from A to F, where A is the best grade and F is a fail. Read more about the grading system.
Resit an examination
This course offers both postponed and resit of examination. Read more: