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Webinar

UGM-2021-Training-Forcefield
UGM-2021-Training-Forcefield

Presented by Marianna Yiannourakou and Jörg-Rüdiger Hill

October 12, 2021


Check your email for links and calendar

Learn to use the versatile MedeA building tools and the comprehensive information of the various MedeA databases to create realistic models for atomistic simulations


Training topics:


  • Explore MSI Phase Diagrams and extract essential structural data with MedeA InfoMatica

  • Easily convert less practical crystal structures with, e.g.  oblique angles and partial site occupations, into models that are ideally suited for calculations with MedeA VASP, MedeA LAMMPS, and MedeA GIBBS

  • Visualize facets of macroscopic crystals and create realistic surface models for complex structures with MedeA Morphology and the MedeA Surface Builder

  • Construct models for various interfaces with minimal strain and lattice mismatch using the MedeA Interface Builder and the MedeA Stack feature

  • Build nano-structures such as particles, tubes, pipes, and rods and deposit those on surfaces or in nanopores with the MedeA Nano Builders and MedeA Docking

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