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20162019
most citedConsistency Analysis for Massively Inconsistent Datasets in Bound-to-Bound Data Collaboration

18 citations · 34 across the 5 of their papers we have counts for

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Showing 2018Show all

2 papers · 1 filter

physics.chem-ph2018★ 12 cited

Diagnostics of Data-Driven Models: Uncertainty Quantification of PM7 Semi-Empirical Quantum Chemical Method

James Oreluk, Zhenyuan Liu, Arun Hegde +4

We report an evaluation of a semi-empirical quantum chemical method PM7 from the perspective of uncertainty quantification. Specifically, we apply Bound-to-Bound Data Collaboration…

physics.chem-ph2018★ 1 cited

Dynamic Chemical Model for H2/O2 Combustion Developed Through a Community Workflow

James Oreluk, Craig D. Needham, Sathya Baskaran +5

Elementary-reaction models for H2/O2 combustion were evaluated and optimized through a collaborative workflow, establishing accuracy and characterizing uncertainties. Quantitative…