The Journal of Chemical Physics · 1986 · 272 citations · 12 references
Natural SciencesChemistryPhysicsComputational BiophysicsComputational ChemistryFluid DynamicsComputational Molecular BiophysicsIntermolecular ForcesMolecular DynamicsMolecular SimulationStatistical MechanicsHydrodynamic InteractionsLong-range TransportMolecular Dynamics In Solution
The lattice sum of the Rotne–Prager hydrodynamic mobility tensor is cast into a rapidly converging form by an Ewald summation technique. The result has a direct application to the problem of how to deal with the long range of hydrodynamic interactions in computer simulations of macromolecular solutions.
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On the calculation of lattice sums
B.R.A. Nijboer, F. W. de Wette · Physica · 1957 · 416 citations · Full text