Classical Forcefield-based Methods

Classical Forcefield-based Methods

In this training session, we will focus on property prediction using classical forcefield-based methods. The examples we explore will allow us to demonstrate and discuss: 


  • building of models (atomistic and coarse-grained),

  • creation of re-usable workflows,

  • job control, and

  • analysis of results  


Marianna Yiannourakou
Research Scientist

Dr. Marianna Yiannourakou is a senior research scientist and developer at Materials Design. Her focus is on property prediction of fluids (soft matter in general) using classical molecular simulations