- Brazdova, Veronika & Bowler, David R (2013). Atomistic Computer Simulations - A Practical Guide. Wiley
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Course offered as a part of a programme
Course, master’s level
7.5 credits
Malmö | daytime | 50%
10 November 2025 - 18 January 2026
Code for the course: MT647E
About the course
The objective of the course is for the student to develop understanding of classical theories and modelling techniques used to simulate scientific material phenomena and mechanisms at the atomic level.
This course is offered as part of programme:
Course content
- Classical empirical potentials and force fields
- Statistical ensembles
- Lagrangian and Hamiltonian mechanics
- Barostats and thermostats
- Integration of equations of motion
- Optimisation algorithms for atom simulations
- Software structure
- Modelling of defects
Entry requirements
- A Bachelor’s degree in materials engineering, mechanical engineering, physics, chemistry or equivalent. The degree must be equivalent to at least 180 higher education credits.
- At least 22.5 higher education credits in mathematics
- The equivalent of English 6 in Swedish secondary school
- MT640E Materials Engineering,7.5 credits or equivalent
Course literature
Course evaluation
The University provides students who are taking or have completed a course with the opportunity to share their experiences of and opinions about the course in the form of a course evaluation that is arranged by the University. The University compiles the course evaluations and notifies the results and any decisions regarding actions brought about by the course evaluations. The results shall be kept available for the students. (HF 1:14).
