178 citations · 469 across the 8 of their papers we have counts for
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physics.chem-ph2017★ 63 cited
Reliable estimation of prediction uncertainty for physico-chemical property models
Jonny Proppe, Markus Reiher
The predictions of parameteric property models and their uncertainties are sensitive to systematic errors such as inconsistent reference data, parametric model assumptions, or inad…
physics.chem-ph2017★ 52 cited
Error Assessment of Computational Models in Chemistry
Gregor N. Simm, Jonny Proppe, Markus Reiher
Computational models in chemistry rely on a number of approximations. The effect of such approximations on observables derived from them is often unpredictable. Therefore, it is ch…