Modeling uncertainties in molecular dynamics simulations using a stochastic reduced-order basis

DOI10.1016/j.cma.2019.05.020zbMath1441.74011OpenAlexW2947019364WikidataQ127818910 ScholiaQ127818910MaRDI QIDQ1988127

Johann Guilleminot, Christian Soize, Haoran Wang

Publication date: 16 April 2020

Published in: Computer Methods in Applied Mechanics and Engineering (Search for Journal in Brave)

Full work available at URL: https://hal-upec-upem.archives-ouvertes.fr/hal-02146341/file/publi-2019-CMAME_wang-guilleminot-soize-preprint.pdf

zbMATH Keywords

molecular dynamicsuncertainty quantificationmodel uncertaintiesstochastic reduced-order modeling

Mathematics Subject Classification ID

Numerical methods for initial value problems involving ordinary differential equations (65L05) Molecular, statistical, and kinetic theories in solid mechanics (74A25)

Related Items (4)

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Cites Work

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• Proper orthogonal decomposition-based model order reduction via radial basis functions for molecular dynamics systems
• Turbulence and the dynamics of coherent structures. I. Coherent structures
• Uncertainty Quantification in MD Simulations. Part II: Bayesian Inference of Force-Field Parameters

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