Training-Advanced Atomic Model Building Based on Comprehensive Databases

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

Thursday, March 11, 2021 10:00 am PST / 11:00 am MST / 12:00 pm CST / 1:00 pm EST (USA) / 7:00 pm Europe (CET) / 11:30 pm India (IST)

Thursday, March 11th

10:00 am PST  

11:00 am MST  

12:00 pm CST 

1:00 pm EST (USA)  

7:00 pm Europe (CET)  

11:30 pm India (IST)

Presented by Dr. René Windiks

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