24 citations · 69 across the 7 of their papers we have counts for
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cond-mat.mtrl-sci2022★ 22 cited
Automated determination of grain boundary energy and potential-dependence using the OpenKIM framework
Brendon Waters, Daniel S. Karls, Ilia Nikiforov +3
We present a systematic methodology, built within the Open Knowledgebase of Interatomic Models (OpenKIM) framework (https://openkim.org), for quantifying properties of grain bounda…
cond-mat.mtrl-sci2021★ 24 cited
Bayesian, frequentist, and information geometric approaches to parametric uncertainty quantification of classical empirical interatomic potentials
Yonatan Kurniawan, Cody L. Petrie, Kinamo J. Williams +5
In this paper, we consider the problem of quantifying parametric uncertainty in classical empirical interatomic potentials (IPs) using both Bayesian (Markov Chain Monte Carlo) and…