KJM9630 – Multi-scale Molecular modeling
Course description
Schedule, syllabus and examination date
Course content
The course is designed to give students in chemistry and related subjects an introduction to the theory for molecular 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.
Learning outcome
When you have completed this course, you can
- understand how quantum mechanical models can be used to describe chemical reactions and properties.
- explain strengths and weaknesses of different models (molecular mechanics, semi-empirical, wavefunction based and density functional theory)
- explain how quantum mechanics can contribute to the understanding of reaction mechanisms in organic chemistry and catalysis
- evaluate the accuracy of performed calculations
- present results from computational studies in both oral and written form
- familiarize yourself with scientific literature in the field and communicate your knowledge to scientific peers
Admission to the course
PhD candidates from the University of Oslo should apply for classes and register for examinations through?Studentweb.
If a course has limited intake capacity, priority will be given to PhD candidates who follow an individual education plan where this particular course is included. Some national researchers’ schools may have specific rules for ranking applicants for courses with limited intake capacity.
PhD candidates who have been admitted to another higher education institution must?apply for a position as a visiting student?within a given deadline.
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 KJM5630 – Multi-scale Molecular Modeling (discontinued).
Teaching
The course consists of 30 hours of lectures and 32 hours of computer 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.
Approved exercises and presentations are only valid the semester they are written.
The first lecture/group exercise is mandatory. If you are unable to attend, you must inform the Department of Chemistry before the first lecture/group exercise starts. If you fail to register as an active student, you will lose your place in 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. 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.
You will also compile and give presentations on one or more given topics. You will be informed about the number of topics at the beginning of the course. The presentations have to be approved before you can sit for the exam.
Approved exercises and presentations are only valid the semester they are written.
Language of examination
The examination text is given in English, and you must submit your response in English.
Grading scale
Grades are awarded on a pass/fail scale. Read more about the grading system.
Resit an examination
This course offers both postponed and resit of examination. Read more:
There is no offer of a re-scheduled exam for students who withdraw during the exam, or did not pass.?
More about examinations at UiO
- Use of sources and citations
- Special exam arrangements due to individual needs
- Withdrawal from an exam
- Illness at exams / postponed exams
- Explanation of grades and appeals
- Resitting an exam
- Cheating/attempted cheating
You will find further guides and resources at the web page on examinations at UiO.