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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
Explore MedeA Software
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