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Slides

Training: Orbital Level Understanding of Adsorbate-Surface Interactions in Catalysis

Learn to use the MedeA GUI, MedeA VASP, MedeA Phonon, MedeA Gaussian, MedeA Flowcharts, and analysis tools to explore catalytic processes! 


Training topics:


-User-friendly structure builder

-Finding stable adsorption site with MedeA Docking 

-Transition state search with MedeA Transition State Search (TSS)

-Electronic structure analysis of adsorption site

-Gibbs free energy calculation with MedeA Phonon and MedeA Gaussian

-Generate large and consistent sets of computed data and descriptors with the MedeA Descriptors HT (high-throughput) module

 

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