10.22541/au.159189857.79976995
This is a follow-on paper from the Hutchison group, expanding on some previous work looking at correlations of molecular energy from a variety of levels of theory with results from high-level ab initio calculations. A new addition in this paper is a small set of ML methods, a welcome addition to the forcefield and electronic structure methods usually used in comparisons of this kind.The paper presents some interesting results, but is riddled with missing or misattributed data, typos, grammatical errors (particularly agreements for single…