iCμMD iteratively adds or removes ions between standard MD runs until the bulk ion concentration matches a target, and the authors report two-iteration convergence in three interfacial systems.
D.; Lu pkowski, M.; van Swol, F., Molecular dynamics and Monte Carlo simulations in the grand canonical ensemble: Local versus global control
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A Simple Iterative Approach for Constant Chemical Potential Simulations at Interfaces
iCμMD iteratively adds or removes ions between standard MD runs until the bulk ion concentration matches a target, and the authors report two-iteration convergence in three interfacial systems.