43 citations · 111 across the 7 of their papers we have counts for
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physics.chem-ph2021★ 16 cited
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…
physics.chem-ph2019★ 21 cited
Computing three-dimensional densities from force densities improves statistical efficiency
Samuel W. Coles, Daniel Borgis, Rodolphe Vuilleumier +1
The extraction of inhomogeneous 3-dimensional densities around tagged solutes from molecular simulations is known to have a very high computational cost because this is traditional…