activity
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

collaborators
Showing physics.comp-phShow all

2 papers · 1 filter

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…

physics.comp-ph2020★ 18 cited

The OpenKIM Processing Pipeline: A Cloud-Based Automatic Materials Property Computation Engine

Daniel S. Karls, Matthew Bierbaum, Alexander A. Alemi +3

The Open Knowledgebase of Interatomic Models (OpenKIM) project is a framework intended to facilitate access to standardized implementations of interatomic models for molecular simu…