loading page

Review for: Acceleration of Catalyst Discovery with Easy, Fast, and Reproducible Computational Alchemy    
  • Fallbackprofileimagethumb
  • Anonymous IJQC Reviewer
Anonymous IJQC Reviewer

Abstract

Using computational alchemy, the authors demonstrate how catalyst discovery can be made faster and readily accessible. Starting from electronic structure results on one system, they give predictions for barriers and binding energies for variants of that system. This cashes in on the promise that computational alchemy allows for systematical screening of chemical spaces in pursuit of a design application. Their work is written in an hands-on explicit style including clear figures which render the work accessible to the broad audience for which it is relevant.
I suggest to accept the article after minor revisions as outlined below.