Course - Advanced Molecular Modelling - KJ8205
KJ8205 - Advanced Molecular Modelling
Lessons are not given in the academic year 2020/2021
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.
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.
Exam registration requires that class registration is approved in the same semester. Compulsory activities from previous semester may be approved by the department.
Recommended previous knowledge
The course requires the course TKJ4205 Molecular Modeling or a corresponding background in computational chemistry.
Åstrand P.-O. Atomistic Models: Concepts in Computational Chemistry, Bookboon.com, 2016; http://bookboon.com/en/atomistic-models-ebook
Lecture notes and selected journal papers.
Credits: 7.5 SP
Study level: Doctoral degree level
Language of instruction: English
- Molecular Medicine
- Materials Science and Solid State Physics
- Physical Chemistry
- Chemical Engineering
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.
For more information regarding registration for examination and examination procedures, see "Innsida - Exams"