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• W1990242519 endingPage "17024" @default.
• W1990242519 startingPage "17019" @default.
• W1990242519 abstract "A recently developed multiscale coarse-graining procedure [Izvekov, S.; Voth, G. A. J. Phys. Chem. B 2005, 109, 2469] is extended to derive coarse-grained models for nanoparticles. The methodology is applied to C(60) and to carbonaceous nanoparticles produced in combustion environments. The coarse-graining of the interparticle force field is accomplished applying a force-matching procedure to data obtained from trajectories and forces from all-atom MD simulations. The CG models are shown to reproduce accurately the structural properties of the nanoparticle systems studied, while allowing for MD simulations of much larger self-assembled nanoparticle systems." @default.
• W1990242519 created "2016-06-24" @default.
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• W1990242519 date "2005-08-19" @default.
• W1990242519 modified "2023-10-09" @default.
• W1990242519 title "Systematic Coarse-Graining of Nanoparticle Interactions in Molecular Dynamics Simulation" @default.
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• W1990242519 doi "https://doi.org/10.1021/jp0530496" @default.
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