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Revision as of 19:21, 21 February 2024

scientific article; zbMATH DE number 6160068
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Uncertainty Quantification in MD Simulations. Part II: Bayesian Inference of Force-Field Parameters
scientific article; zbMATH DE number 6160068

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    Uncertainty Quantification in MD Simulations. Part II: Bayesian Inference of Force-Field Parameters (English)
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    2 May 2013
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    uncertainty quantification
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    inverse problem
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    Bayesian inference
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    polynomial chaos
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    molecular dynamics
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    TIP4P water
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    surrogate model
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