Electrokinetic transport in nanofluidics has attracted many attentions in recent years due to its potential applications in biomedical analysis and energy conversion systems. The biggest challenge to model the electrokinetic transport using atomistic simulations is the extensive cost in calculation of the long-range electrostatic force between ions. In this work, we develop an efficient molecular approach to simulate electrokinetic transport in nano-scale. The long-range Coulombic interactions are treated using the Particle-Particle Particle-Mesh (P3M) scheme and the Poisson equation for electric potential is solved in physical space using an iterative multi-grid technique. We implement this approach to systematically investigate two examples: the electroosmotic flow in random rough channels and the electrowetting on dielectric (EWOD). Both cases pose important engineering applications as a mechanism for transporting small amount of liquid in micro and nano devices.

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