KJ8205 - Advanced Molecular Modelling


Lessons are not given in the academic year 2020/2021

Course content

The course gives the theoretical basis for molecular mechanics, intermolecular forces, solvation as well as molecular electromagnetism. Furthermore, theoretical models are discussed for reactivity and reaction dynamics (catalysis), and optical electronic properties of molecular materials (nanostructures). Themes are also selected based on the stundents' background and interests.

Learning outcome

After the course, the student is expected to be able to:
- Explain on a detailed level the theoretical models that the student uses in his/her daily computations.
- Carry out literature studies to present selected themes at the research forefront in molecular modeling both orally and as written reports.

Learning methods and activities

The course is lectured every second year, next time fall 2018. Lectures, exercises and literature studies. Portfolio evaluation: Exercises (1/3) and literature studies (2/3). Grading scale: Passed/Failed. English teaching by request.

Compulsory assignments

  • Exercises

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.

Course materials

Åstrand P.-O. Atomistic Models: Concepts in Computational Chemistry,, 2016;

Lecture notes and selected journal papers.

More on the course



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



Language of instruction: English

Location: Trondheim

Subject area(s)
  • Molecular Medicine
  • Materials Science and Solid State Physics
  • Physical Chemistry
  • Chemical Engineering
  • Chemistry
Contact information

Department with academic responsibility
Department of Chemistry



  • * 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.

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