Training: Orbital Level Understanding of Adsorbate-Surface Interactions in Catalysis
Presented by Dr. Siwen Wang
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
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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)