1. Introduction to multiscale modelling
2. Review of electronic structure calculation methods
3. Modelling of interatomic interactions
4. Methods for atomistic scale simulations
5. Meso-scale simulation methods
6. Computer exercises
7. Projects

This course aims at providing students with fundamental concepts, principles, and methods in multiscale modelling. You will learn how to use multiscale modelling methods to study large molecular systems.

For whom: PhD students

Students at KTH with a permanent disability can get support during studies from Funka:

Funka - compensatory support for students with disabilities

Please inform the course coordinator if you need compensatory support during the course. Present a certificate from Funka.

P, F

• DEL1 - Participation, 4.0 credits, Grading scale: P, F
• INL1 - Hand in exercise, 2.0 credits, Grading scale: P, F
• PRO1 - Proect work, 4.0 credits, Grading scale: P, F

Based on recommendation from KTH’s coordinator for disabilities, the examiner will decide how to adapt an examination for students with documented disability.

The examiner may apply another examination format when re-examining individual students.

Participation ( DEL1 )

Hand in exercise ( INL1 )

Proect work ( PRO1 )

Attendance on at least 80% of the lectures, finish all the exercises and projects and present the results.

• All members of a group are responsible for the group's work.
• In any assessment, every student shall honestly disclose any help received and sources used.
• In an oral assessment, every student shall be able to present and answer questions about the entire assignment and solution.