Slides
UGM 2021 Training 01 Classical Forcefield-based Methods
Classical Forcefield-based Methods
Instructors: Dr. Marianna Yiannourakou and Dr. Jörg-Rudiger 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:
building of models (atomistic and coarse-grained),
creation of re-usable workflows,
job control,
analysis of results
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