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 EDJanes ANSchmidt J.R..  2018.  Mechanistic insights into solution-phase oxidative esterification of primary alcohols on Pd(111) from first-principles microkinetic modelingACS Catalysis. 8(1):272-282