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.
The Journal of chemical physics 1995, 102 (2), 925-931
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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.