KJ8902 - Molecular Modelling


Examination arrangement

Examination arrangement: School exam
Grade: Passed / Not Passed

Evaluation Weighting Duration Grade deviation Examination aids
School exam 100/100 4 hours D

Course content

Computional methods based on molecular quantum mechanics, statistical mechanics and informatics are introduced with the focus on molecular systems. The methodologies inlude Hartree-Fock and density-functional theory, force fields, molecular dynamics and Monte Carlo simulations, energy minimizations and conformational analysis, solvation models and free energy calculations, periodic systems, and chemoinformatics.

Learning outcome

After the course, the student is supposed to be able to:

  • explain on a general level the various computational methods presented in the course
  • suggest a suitable computational method for a given problem


  • carry out simple model calculations

Learning methods and activities

Lectures and mandatory exercises.

Compulsory assignments

  • Exercises

Further on evaluation

For re-sit exam or exam during a term without lectures in this course, written examination may be changed to oral examination.

Course materials

Notes handed out at the start of the semester.

Credit reductions

Course code Reduction From To
TKJ4205 7.5 AUTUMN 2009
More on the course



Version: 1
Credits:  7.5 SP
Study level: Doctoral degree level


Term no.: 1
Teaching semester:  AUTUMN 2023

Language of instruction: English

Location: Trondheim

Subject area(s)
  • Materials Science and Engineering
  • Physical Chemistry
  • Chemical Engineering
  • Chemistry
  • Technological subjects
Contact information
Course coordinator: Lecturer(s):

Department with academic responsibility
Department of Chemistry


Examination arrangement: School exam

Term Status code Evaluation Weighting Examination aids Date Time Examination system Room *
Autumn ORD School exam 100/100 D 2023-12-21 15:00 INSPERA
Room Building Number of candidates
SL310 blå sone Sluppenvegen 14 1
Spring ORD School exam 100/100 D INSPERA
Room Building Number of candidates
  • * The location (room) for a written examination is published 3 days before examination date. If more than one room is listed, you will find your room at Studentweb.

For more information regarding registration for examination and examination procedures, see "Innsida - Exams"

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