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20032023
most citedRevelsMD: Reduced Variance Estimators of the Local Structure in Molecular Dynamics

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physics.chem-ph2021

Reduced variance analysis of molecular dynamics simulations by linear combination of estimators

Samuel W. Coles, Etienne Mangaud, Daan Frenkel +1

Building upon recent developments of force-based estimators with a reduced variance for the computation of densities, radial distribution functions or local transport properties fr…