Solvent-induced depletion interactions in multiparticle collision dynamic simulations

M Wagner and M Ripoll, INTERNATIONAL JOURNAL OF MODERN PHYSICS C, 30, 1941008 (2019).

DOI: 10.1142/S0129183119410080

Molecular-dynamics-coupled multiparticle collision dynamic (MPC-MD) simulations have emerged to be an efficient and versatile tool in the description of mesoscale colloidal dynamics. However, the compressibility of the coarse-grained fluid leads to this method being prone to spurious depletion interactions that may dominate the colloidal dynamics. In this paper, we review the existing methodology to deal with these interactions, establish and report depletion measurements, and present a method to avoid artificial depletion in mesoscale simulation methods.

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