Molecular Simulation of soft matter and biological material, LSF, 020450

The course provides an introduction into the field of molecular simulations from the basics (the underlying fundaments) up to the state-of-the-art. The theorie lectures are online (zoom: https://tu-dortmund.zoom.us/my/jelger.risselada). Tutorials will be at the TUDortmund from 14:00-16:00 in HS2. The subject of the planned lectures are:

1) Welcome to my field!

2) Time integration and sampling

3) Thermodynamic ensembles

4) Tutorial

5) The need for speed: Efficient algorithms

6) The need for speed: Coarse-graining

7) Tutorial

8) Enhanced sampling: Free energy calculations

9) Evolutionary algorithms and machine learning

10) Tutorial

11) Free of choice...