⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data. Crafted at the @geem-lab.
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Updated
Oct 15, 2024 - Python
⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data. Crafted at the @geem-lab.
Redox flow battery electrochemical cycling models in Python
Bayesian correction to DFT energetics for CO oxidation microkinetics
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