Micki: Microkinetic Modeling Code
We have written our own Microkinetic Modeling Code, Micki, to analyze complex, heterogeneously catalyzed chemical reactions. The code can currently be found on github:
We utilize this code in the following paper:
Hermes ED, Janes AN, Schmidt J.R.. 2018. Mechanistic insights into solution-phase oxidative esterification of primary alcohols on Pd(111) from first-principles microkinetic modeling. ACS Catalysis. 8(1):272-28