Chemical Physics · 2011 · 40 citations · 41 references
Natural SciencesChemistryPhysicsNanomaterialsSurface ChemistrySurface ScienceCarbon NanotubesGraphene NanomaterialsIntermolecular ForcesNanotubesSurface HydrophobicitySurface PhysicsFullerenesGrapheneHydration BehaviorHydrophobicityInterfacial Water StructureMolecular Orientation At SurfacesSurface Curvature Effects
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Molecular dynamics with coupling to an external bath
Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren et al. · The Journal of Chemical Physics · 1984 · 31K citations · Full text
Natural Sciences, Chemistry, Physics +17
A smooth particle mesh Ewald method
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