CALIBRATION AND RANKING OF COARSE-GRAINED MODELS IN MOLECULAR SIMULATIONS USING BAYESIAN FORMALISM

DOI10.1615/INT.J.UNCERTAINTYQUANTIFICATION.2017013407MaRDI QIDQ5052304zbMATH OpenFDO

Authors Hadi Meidani, Justin B. Hooper, Dmitry Bedrov, Robert M. Kirby

Publication date 24 November 2022

Published in International Journal for Uncertainty Quantification (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1615/INT.J.UNCERTAINTYQUANTIFICATION.2017013407

Mathematics Subject Classification ID

Strong limit theorems (60F15) Computational molecular dynamics in statistical mechanics (82M37)

Cited in

(1)

• On the value of test data for reducing uncertainty in material models: computational framework and application to spherical indentation

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