Instructors: Dr. Marianna Yiannourakou and Dr. Jörg-Rüdiger Hill In this training session we will focus on property prediction using classical forcefield-based methods. We will go over examples that will allow us to discuss:

Classical Forcefield-based Methods

1. building of models (atomistic and coarse-grained),

2. creation of re-usable workflows,

3. job control,

4. analysis of results