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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:

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

  2. creation of re-usable workflows,

  3. job control,

  4. analysis of results


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