course-details-portlet

TKJ4205 - Molecular Modelling

About

Examination arrangement

Examination arrangement: School exam
Grade: Letter grades

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

Course content

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

Learning outcome

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

  • Explain on a general level the various computational methods presented in the course
  • Carry out simple model calculations
  • Suggest a suitable computational method for a given problem

Learning methods and activities

Lectures and mandatory exercises.

Compulsory assignments

  • Exercises

Further on evaluation

If there is a re-sit examination only the written exam is repeated. If there is a re-sit examination, the examination may be changed from written to oral.

Specific conditions

Compulsory activities from previous semester may be approved by the department.

Course materials

A. R. Leach: Molecular modelling: Principles and applications, 2nd ed, Prentice Hall, Harlow, 2001.

Credit reductions

Course code Reduction From To
SIK3088 7.5
KJ8902 7.5 AUTUMN 2009
More on the course

No

Facts

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

Coursework

Term no.: 1
Teaching semester:  AUTUMN 2022

Language of instruction: English

Location: Trondheim

Subject area(s)
  • Molecular Medicine
  • Molecular Biophysics
  • Thermodynamics
  • Materials Science and Solid State Physics
  • Physical Chemistry
  • Chemical Engineering
  • Chemistry
  • Technological subjects
Contact information
Course coordinator: Lecturer(s):

Department with academic responsibility
Department of Chemistry

Timetable

List view
Calendar view

Examination

Examination arrangement: School exam

Term Status code Evaluation Weighting Examination aids Date Time Examination system Room *
Autumn ORD School exam 100/100 D 2022-12-06 15:00 INSPERA
Room Building Number of candidates
Summer UTS 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.
Examination

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

More on examinations at NTNU