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20202024
most citedBayesian, frequentist, and information geometric approaches to parametric uncertainty quantification of classical empirical interatomic potentials

24 citations · 69 across the 7 of their papers we have counts for

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Showing 2022 · physics.comp-phShow all

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physics.comp-ph2022

Extending OpenKIM with an Uncertainty Quantification Toolkit for Molecular Modeling

Yonatan Kurniawan, Cody L. Petrie, Mark K. Transtrum +4

Atomistic simulations are an important tool in materials modeling. Interatomic potentials (IPs) are at the heart of such molecular models, and the accuracy of a model's predictions…