July 27th, 2021
Lectures given by Susan Köppen and Tim Stauch
In the first block of the half-day workshop we will give a general introduction to the algorithms of molecular dynamics and thermodynamic ensemble. In the second block, we will address the challenges in the implementation of MD through methods with different levels of accuracy. Here we will give an overview of MD applications for Ehrenfest, Car-Parrinello, Born-Oppenheimer and classical MD.
Time:09:00 - 13:00
Location:online Half-Day workshop via zoom