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 multiscale 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.
Date: March 4./5th 2021
Application Period : February 15th-28th 2021
Who: PD Dr. Viktor Ivanov
No of Participants: max. 20