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We develop a computational method for modeling electrostatic interactions ofarbitrarily-shaped, polarizable objects on colloidal length scales, includingcolloids/nanoparticles, polymers, and surfactants, dispersed in explicit ionelectrolytes and nonionic solvents. Our method computes the nonuniformpolarization charge distribution induced in a colloidal particle by bothexternally applied electric fields and local electric fields arising from othercharged objects in the dispersion. This leads to expressions for electrostaticenergies, forces, and torques that enable efficient molecular dynamics andBrownian dynamics simulations of colloidal dispersions in electrolytes, whichcan be harnessed to accurately predict structural and transport properties. Wedescribe an implementation in which colloidal particles are modeled as rigidcomposites of small spherical beads that tessellate the surface of theparticle. The electrostatics calculations are accelerated using aspectrally-accurate particle-mesh-Ewald technique implemented on a graphicsprocessing unit (GPU). We demonstrate the effectiveness of this approachthrough a series of calculations, including the induced dipole moments andforces for one, two, and lattices of spherical colloids in an electric field;the induced dipole moment and torque for anisotropic particles in an electricfield; the equilibrium distribution of ions in the double layer around chargedcolloids; the dynamics of charged colloids; and ions in the double layer arounda polarizable colloid exposed to an electric field.

Immersed boundary method for dynamic simulation of polarizable colloids of arbitrary shape in explicit ion electrolytes