Course - Molecular Modelling - TKJ4205
TKJ4205 - Molecular Modelling
About
Examination arrangement
Examination arrangement: Written examination
Grade: Letters
| Evaluation form | Weighting | Duration | Examination aids | Grade deviation |
|---|---|---|---|---|
| Written examination | 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
Exam registration requires that class registration is approved in the same semester. Compulsory activities from previous semester may be approved by the department.
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 |
|---|---|---|---|
| SIK3088 | 7.5 | ||
| KJ8902 | 7.5 | 01.09.2009 |
No
Version: 1
Credits:
7.5 SP
Study level: Second degree level
Term no.: 1
Teaching semester: AUTUMN 2019
No.of lecture hours: 4
Lab hours: 4
No.of specialization hours: 4
Language of instruction: English
Location: Trondheim
- Molecular Medicine
- Molecular Biophysics
- Thermodynamics
- Materials Science and Solid State Physics
- Physical Chemistry
- Chemical Engineering
- Chemistry
- Technological subjects
- Kristin Marie Skjelbred Refsnes
- Per-Olof Harald Åstrand
- Sarai Dery Folkestad
- Titus Sebastiaan van Erp
Department with academic responsibility
Department of Chemistry
Phone:
Examination
Examination arrangement: Written examination
- Term Status code Evaluation form Weighting Examination aids Date Time Digital exam Room *
- Autumn ORD Written examination 100/100 D 2019-12-09 09:00 INSPERA
-
Room Building Number of candidates SL310 hvit sone Sluppenvegen 14 30 SL322 Sluppenvegen 14 1 - Summer UTS Written examination 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"