Uncertainty quantification in MD simulations of concentration driven ionic flow through a silica nanopore. II. Uncertain potential parameters

Uncertainty quantification in MD simulations of concentration driven ionic flow through a silica nanopore. I. Sensitivity to physical parameters of the pore

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Uncertainty Quantification in MD Simulations. Part I: Forward Propagation

(2012) F. Rizzi et al.   MULTISCALE MODELING & SIMULATION

Uncertainty Quantification in MD Simulations. Part II: Bayesian Inference of Force-Field Parameters

(2012) F. Rizzi et al.   MULTISCALE MODELING & SIMULATION

Bayesian Inference of Spectral Expansions for Predictability Assessment in Stochastic Reaction Networks

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Examples of Adaptive MCMC

(2009) Gareth O. Roberts et al.   JOURNAL OF COMPUTATIONAL AND GRAPHICAL STATISTICS

Generalization of the homogeneous nonequilibrium molecular dynamics method for calculating thermal conductivity to multibody potentials

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Molecular Dynamics of Ionic Transport and Electrokinetic Effects in Realistic Silica Channels

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