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

Dr. Wang and the Materials Design Support Team will lead a MedeA training session. This training is open to everyone. Learn to use the MedeA GUI, MedeA VASP, MedeA Phonon, 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

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

Thursday, February 11, 2021 -- 10:00 AM PST / 12 PM CST / 1 PM EST

Thursday, February 11th

10:00 am PDT  

11:00 am MDT  

12:00 pm CDT 

1:00 pm EDT (USA)  

7:00 pm Europe (CET)  

11:30 pm India (IST)

Presented by Dr. Siwen Wang

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