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
- carry out simple model calculations
- suggest a suitable computational method for a given problem
Learning methods and activities
Lectures and mandatory exercises. For re-sit exam or exam during a term without lectures in this course, written examination may be changed to oral examination.
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 |
---|---|---|---|
TKJ4205 | 7.5 | AUTUMN 2009 |
No
Version: 1
Credits:
7.5 SP
Study level: Doctoral degree level
Term no.: 1
Teaching semester: AUTUMN 2022
Language of instruction: English
Location: Trondheim
- Materials Science and Engineering
- Physical Chemistry
- Chemical Engineering
- Chemistry
- Technological subjects
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 SL111 orange sone Sluppenvegen 14 2 - Spring ORD School exam 100/100 D 2023-06-07 15:00 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"