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…
cond-mat.mtrl-sci2021★ 14 cited
Overscreening and Underscreening in Solid-Electrolyte Grain Boundary Space-Charge Layers
Jacob M. Dean, Samuel W. Coles, William R. Saunders +4
Polycrystalline solids can exhibit material properties that differ significantly from those of equivalent single-crystal samples, in part, because of a spontaneous redistribution o…