2 citations · 3 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2020★ 2 cited
Predicting Kovats Retention Indices Using Graph Neural Networks
Chen Qu, Barry I. Schneider, Anthony J. Kearsley +2
The \kovats retention index is a dimensionless quantity that characterizes the rate at which a compound is processed through a gas chromatography column. This quantity is independe…
cond-mat.mtrl-sci2020★ 1 cited
Uncertainty Quantification for Materials Properties in Density Functional Theory with k-Point Density
Joshua J. Gabriel, Faical Yannick C. Congo, Alexander Sinnott +4
Many computational databases emerged over the last five years that report material properties calculated with density functional theory. The properties in these databases are commo…