Uncertainty Quantification in MD Simulations. Part II: Bayesian Inference of Force-Field Parameters-Reference-Cited by-同舟云学术

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

Published:2012-01 Issue:4 Volume:10 Page:1460-1492
ISSN:1540-3459
Container-title:Multiscale Modeling & Simulation
language:en
Short-container-title:Multiscale Model. Simul.

Author:

Rizzi F.,Najm H. N.,Debusschere B. J.,Sargsyan K.,Salloum M.,Adalsteinsson H.,Knio O. M.

Publisher

Society for Industrial & Applied Mathematics (SIAM)

Subject

Computer Science Applications,General Physics and Astronomy,Ecological Modeling,Modeling and Simulation,General Chemistry

Link

http://epubs.siam.org/doi/pdf/10.1137/110853170

Reference31 articles.

1. On the ergodicity properties of some adaptive MCMC algorithms

2. On adaptive Markov chain Monte Carlo algorithms

3. Diagnostics for Gaussian Process Emulators

4. The missing term in effective pair potentials

5. Statistical approaches to forcefield calibration and prediction uncertainty in molecular simulation

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