This is a two-days ATM (Advanced Teaching Module) for PhD students of IGS-FP (AgriPoly) and IRTG (SFB/TRR). It can be also attended by Master and Bachelor students who are specialised in computer simulation.
The aims of this ATM are: (1) to give a theoretical introduction to computer simulation techniques, and (2) to make the participants familiar with practice of molecular dynamics simulations of polymer systems.
On each of two days (March 4 and 5, 2021) there will be online lectures from 9:30 till 12:45 (two lectures with 15 minutes break) and online practical course in the afternoon, from 14:00 till 17:00. The link to the MLUconf-room will be sent to participants on March 3, 2021.
In the lectures, the participants will learn about theoretical foundation of computer simulation techniques, e.g., molecular dynamics (MD) and Monte Carlo (MC) methods, about practical aspects of implementation of MD and MC algorithms, about coarse-graining and multscale simulations, etc.
In the practical part, the participants will perform own computer simulation study of a model polymer system using either one of the freely available software packages or a pre-built executable file. For practical exercises, the participants need to have an own computer or laptop (either Windows, or Mac, or Linux) or a remote access to some of computer clusters of MLU.
