Journal of Molecular Liquids · 2022 · 10 citations · 65 references
Natural SciencesChemistryPhysicsNanotechnologyPhysical ChemistryTransport PhenomenaNanoparticle InterfacesNanoporous MaterialsPorous MaterialsSurface DiffusionTransport In Porous MediaTransport Property SimulationDiffusive TransportParticle TransportTransport Phenomena In Porous Materials
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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
Ulrich Essmann, L. Perera, Max L. Berkowitz et al. · The Journal of Chemical Physics · 1995 · 22.9K citations