course-details-portlet

TKJ4205 - Molecular Modelling

About

Examination arrangement

Examination arrangement: Written examination
Grade: Letters

Evaluation Weighting Duration Grade deviation Examination aids
Skriftlig 100/100 4 timer

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

Compulsory assignments

  • Exercises

Course materials

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

Credit reductions

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

No

Facts

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

Coursework

Term no.: 1
Teaching semester:  AUTUMN 2011

Language of instruction: English

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

Department with academic responsibility
Department of Chemistry

Examination

Examination arrangement: Written examination

Term Status code Evaluation Weighting Examination aids Date Time Examination system Room *
Autumn ORD Skriftlig 100/100 2011-12-15 09:00
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"

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