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Webinar
UGM-2021-Training-Forcefield
Presented by Marianna Yiannourakou and Jörg-Rüdiger Hill
October 12, 2021
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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