MDSim&Exp

In 2017, we will follow topics of bachelor thesis of the participating students.

  • Modeling of chromatography via MD simulation
  • Efficient sampling of rare events
  • Generic modeling of a salting out effect
  • Basics of the Lattice Boltzmann method

Relevant literature will be provided by the lecturer.

In 2016 we have investigated concepts of Kirkwood-Buff theory.
In 2015, we were dealing with special techniques of free energy calculation.