Course - Molecular Modelling - TKJ4205
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
Recommended previous knowledge
Basic knowledge in physical chemistry.
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 |
No
Version: 1
Credits:
7.5 SP
Study level: Second degree level
Term no.: 1
Teaching semester: AUTUMN 2011
Language of instruction: English
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- Physical Chemistry
- Chemistry
- Chemical Engineering
- Materials Science and Solid State Physics
- Materialer og bearbeiding - materialmodellering
- Molecular Biophysics
- Molecular Medicine
- Technological subjects
- Thermodynamics
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.
For more information regarding registration for examination and examination procedures, see "Innsida - Exams"