CheKiPEUQ Intro 1: Bayesian Parameter Estimation Considering Uncertainty or Error from both Experiments and Theory**
Author:
Affiliation:
1. Surface Chemistry and Catalysis group Oak Ridge National Laboratory 1 Bethel Valley Road Oak Ridge TN 37830 USA
2. Institute for Computational and Data Sciences Chemical and Biological Engineering University at Buffalo Buffalo NY 14260 USA
Funder
Basic Energy Sciences
Publisher
Wiley
Subject
Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Catalysis
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/cctc.202000953
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1. Reaction Mechanism of Vapor-Phase Formic Acid Decomposition over Platinum Catalysts: DFT, Reaction Kinetics Experiments, and Microkinetic Modeling
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3. The method of uncertainty quantification and minimization using polynomial chaos expansions
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5. Sequential-Optimization-Based Framework for Robust Modeling and Design of Heterogeneous Catalytic Systems
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