Calibration and validation of coarse-grained models of atomic systems: application to semiconductor manufacturing

DOI10.1007/S00466-014-1028-YMaRDI QIDQ2512486zbMATHOpenAlexFDO

Authors Kathryn Farrell, J. Tinsley Oden

Publication date 7 August 2014

Published in Computational Mechanics (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/s00466-014-1028-y

zbMATH Keywords

model selectionBayesian statisticsuncertainty quantificationcalibrationvalidationcoarse grainingcanonical ensemble

Mathematics Subject Classification ID

Statistical mechanics of semiconductors (82D37) Stochastic and other probabilistic methods applied to problems in solid mechanics (74S60) Random structure in solid mechanics (74E35)

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Cites work

• scientific article; zbMATH DE number 2006381 (Why is no real title available?)
• scientific article; zbMATH DE number 6406492 (Why is no real title available?)
• A Mathematical Theory of Communication
• A systematic approach to model validation based on Bayesian updates and prediction related rejection criteria
• Adaptive multiscale modeling of polymeric materials with Arlequin coupling and goals algorithms
• Bayesian calibration of computer models. (With discussion)
• Bayesian validation assessment of multivariate computational models
• Divergence Estimation for Multidimensional Densities Via $k$-Nearest-Neighbor Distances
• Elements of Information Theory
• Fast parallel algorithms for short-range molecular dynamics
• Predicting the output from a complex computer code when fast approximations are available
• Probability Theory
• Selection and assessment of phenomenological models of tumor growth
• Virtual model validation of complex multiscale systems: applications to nonlinear elastostatics

Cited in

(5)

• Predictive coarse-graining
• Construction of coarse-grained models by reproducing equilibrium probability density function
• An iterative Bayesian filtering framework for fast and automated calibration of DEM models
• A Bayesian framework for adaptive selection, calibration, and validation of coarse-grained models of atomistic systems
• Adaptive selection and validation of models of complex systems in the presence of uncertainty

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