Schedule, syllabus and examination date

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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

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.

Prerequisites

Recommended previous knowledge

KJM2600 - Physical chemistry II - quantum chemistry and spectroscopy. A minimum in mathematics corresponding to MAT1001 - Mathematics 1

Overlapping courses

10 credits overlap with KJM5630 - Molecular modelling

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.

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 attend the exam.

Approved exercises and presentations 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. 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 attend 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 submit your response in English.

Grading scale

Grades are awarded on a pass/fail scale. Read more about the grading system.

Explanations and appeals

Resit an examination

This course offers both postponed and resit of examination. Read more:

Withdrawal from an examination

It is possible to take the exam up to 3 times. If you withdraw from the exam after the deadline or during the exam, this will be counted as an examination attempt.

Special examination arrangements

Application form, deadline and requirements for special examination arrangements.

Evaluation

The course is subject to continuous evaluation. At regular intervals we also ask students to participate in a more comprehensive evaluation.

Facts about this course

Credits

10

Level

PhD

Teaching

Every autumn

Examination

Every autumn

Teaching language

English