Course - Molecular Modelling - KJ8902
KJ8902 - Molecular Modelling
About
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
Skills:
- 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.
Recommended previous knowledge
Basic knowledge in physical chemistry (chemical bonding and spectroscopy as well as thermodynamics) corresponding to 15 ECTS.
Course materials
Notes handed out at the start of the semester.
Credit reductions
| Course code | Reduction | From | To |
|---|---|---|---|
| TKJ4205 | 7.5 | AUTUMN 2009 |
No
Version: 1
Credits:
7.5 SP
Study level: Doctoral degree level
Term no.: 1
Teaching semester: AUTUMN 2023
Language of instruction: English
Location: Trondheim
- Materials Science and Engineering
- Physical Chemistry
- Chemical Engineering
- Chemistry
- Technological subjects
Department with academic responsibility
Department of Chemistry
Examination
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 hvit sone Sluppenvegen 14 2 - 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"