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

DOI10.1007/S00466-014-1028-YzbMATH Open1398.74487OpenAlexW2024623348MaRDI QIDQ2512486FDOQ2512486

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

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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)

Cites Work

• Fast parallel algorithms for short-range molecular dynamics
• Elements of Information Theory
• Bayesian calibration of computer models. (With discussion)
• A Mathematical Theory of Communication
• Title not available (Why is that?)
• Probability Theory
• Predicting the output from a complex computer code when fast approximations are available
• A systematic approach to model validation based on Bayesian updates and prediction related rejection criteria
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• Virtual model validation of complex multiscale systems: applications to nonlinear elastostatics
• Selection and assessment of phenomenological models of tumor growth
• Divergence Estimation for Multidimensional Densities Via $k$-Nearest-Neighbor Distances
• Adaptive multiscale modeling of polymeric materials with Arlequin coupling and goals algorithms
• Bayesian validation assessment of multivariate computational models

Cited In (5)

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

Uses Software

• QUESO

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