course-details-portlet

KJ8902 - Molecular Modelling

About

Examination arrangement

Examination arrangement: Home examination
Grade: Passed/Failed
Term:  Autumn

Evaluation Weighting Duration Grade deviation Examination aids
Home examination 100/100 4 hours

Examination arrangement

Examination arrangement: School exam
Grade: Passed/Failed
Term:  Spring

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

Specific conditions

Compulsory activities from previous semester may be approved by the department.

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
More on the course

No

Facts

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

Coursework

Term no.: 1
Teaching semester:  AUTUMN 2021

Language of instruction: English

Location: Trondheim

Subject area(s)
  • Materials Science and Engineering
  • Physical Chemistry
  • Chemical Engineering
  • Chemistry
  • Technological subjects
Contact information
Course coordinator: Lecturer(s):

Department with academic responsibility
Department of Chemistry

Examination

Examination arrangement: Home examination

Term Status code Evaluation Weighting Examination aids Date Time Examination system Room *
Autumn ORD Home examination 100/100

Release
2021-12-13

Submission
2021-12-13


09:00


13:00

INSPERA
Room Building Number of candidates

Examination arrangement: School exam

Term Status code Evaluation Weighting Examination aids Date Time Examination system Room *
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.
Examination

For more information regarding registration for examination and examination procedures, see "Innsida - Exams"

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