LFU:online

At the end of the lecture the studends should
(1) be able to code simple MD algorithms
(2) understand MD-oriented publications concerning their main results and methods
(3) be able to analyse a trajectory (-file) for extracting standard properties.
(4) understand periodic boundary conditions, linked-cell methods and other advanced techniques

Molecular dynamics simulations are introduced and it will be taught how to code simple MD algorithms.
Differences between simulating many- and few particle systems will be discussed.
Typical MD-oriented publications will be analysed concerning their main results and methods.
Extraction of physical properties from a trajectory (-file) will be performed.
Periodic boundary conditions, linked-cell methods and other advanced techniques are introduced.