course-details-portlet

KJ8902

Molecular Modelling

Choose study year
Credits 7.5
Level Doctoral degree level
Course start Autumn 2024
Duration 1 semester
Language of instruction English
Location Trondheim
Examination arrangement School exam

About

About the course

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.

Course materials

Notes handed out at the start of the semester.

Credit reductions

Course code Reduction From
TKJ4205 7.5 sp Autumn 2009
This course has academic overlap with the course in the table above. If you take overlapping courses, you will receive a credit reduction in the course where you have the lowest grade. If the grades are the same, the reduction will be applied to the course completed most recently.

Subject areas

  • Materials Science and Engineering
  • Physical Chemistry
  • Chemical Engineering
  • Chemistry
  • Technological subjects

Contact information

Course coordinator

Lecturers

Department with academic responsibility

Department of Chemistry