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pro vyhledávání: '"Frenklach, Michael"'
We extended the existing methodology in Bound-to-Bound Data Collaboration (B2BDC), an optimization-based deterministic uncertainty quantification (UQ) framework, to explicitly take into account model discrepancy. The discrepancy was represented as a
Externí odkaz:
http://arxiv.org/abs/1907.00886
Autor:
Oreluk, James, Liu, Zhenyuan, Hegde, Arun, Li, Wenyu, Packard, Andrew, Frenklach, Michael, Zubarev, Dmitry
Publikováno v:
Scientific Reports 8, Article number: 13248 (2018)
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, an uncertainty quantification framework, to characterize a) variabil
Externí odkaz:
http://arxiv.org/abs/1806.04813
Autor:
Oreluk, James, Needham, Craig D., Baskaran, Sathya, Sarathy, S. Mani, Burke, Michael P., West, Richard H., Frenklach, Michael, Westmoreland, Phillip R.
Elementary-reaction models for H2/O2 combustion were evaluated and optimized through a collaborative workflow, establishing accuracy and characterizing uncertainties. Quantitative findings were the optimized model, the importance of $\text{H}_2 + \te
Externí odkaz:
http://arxiv.org/abs/1801.10093
Publikováno v:
In International Journal of Hydrogen Energy 19 July 2022 47(61):25831-25848
Autor:
Savchenkova, Anna S., Semenikhin, Alexander S., Chechet, Ivan V., Matveev, Sergey G., Frenklach, Michael, Morozov, Alexander N., Mebel, Alexander M.
Publikováno v:
In Chemical Physics Letters 16 July 2022 799
Publikováno v:
SIAM/ASA J. Uncertainty Quantification, 6(2), 2018, pp. 429-456
Bound-to-Bound Data Collaboration (B2BDC) provides a natural framework for addressing both forward and inverse uncertainty quantification problems. In this approach, QOI (quantity of interest) models are constrained by related experimental observatio
Externí odkaz:
http://arxiv.org/abs/1701.04695
Akademický článek
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Autor:
Schroeder, Benjamin B, Smith, Sean T, Smith, Philip J, Fletcher, Thomas H, Packard, Andrew, Frenklach, Michael, Hegde, Arun, Li, Wenyu, Oreluk, James
When performing large-scale, high-performance computations of multi-physics applications, it is common to limit the complexity of physics sub-models comprising the simulation. For a hierarchical system of coal boiler simulations a scale-bridging mode
Externí odkaz:
http://arxiv.org/abs/1609.00871
Publikováno v:
In Combustion and Flame April 2021 226:98-107
Publikováno v:
In Combustion and Flame June 2020 216:174-184