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Uncertainty Quantification in MD Simulations. Part I: Forward Propagation

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References

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2016Error correction in multi-fidelity molecular dynamics simulations using functional uncertainty quantification25 cited
2015A Stochastic Galerkin Method for Hamilton--Jacobi Equations with Uncertainty24 cited
2020Uncertainty quantification in materials modeling23 cited
2016Reliable Molecular Dynamics: Uncertainty quantification using interval analysis in molecular dynamics simulation23 cited
2016Systematic parameter inference in stochastic mesoscopic modeling22 cited
2014PC analysis of stochastic differential equations driven by Wiener noise22 cited

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2017Nonintrusive Polynomial Chaos Expansions for Sensitivity Analysis in Stochastic Differential Equations20 cited

2020Uncertainty Quantification in Atomistic Modeling of Metals and Its Effect on Mesoscale and Continuum Modeling: A Review18 cited

2013Preconditioned Bayesian Regression for Stochastic Chemical Kinetics18 cited

2016Global sensitivity analysis in stochastic simulators of uncertain reaction networks14 cited

2018UNCERTAINTY QUANTIFICATION FOR MOLECULAR DYNAMICS14 cited

2026Uncertainty Quantification for In Silico Chemistry13 cited

2024Global ranking of the sensitivity of interaction potential contributions within classical molecular dynamics force fields13 cited