Correction of coarse-graining errors by a two-level method: application to the Asakura-Oosawa model
We present a method that exploits self-consistent simulation of coarse-grained and fine-grained models in order to analyze properties of physical systems. The method uses the coarse-grained model to obtain a first estimate of the quantity of interest, before computing a correction by analyzing prope...
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| Hauptverfasser: | , , , , |
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| Dokumenttyp: | Article (Journal) |
| Sprache: | Englisch |
| Veröffentlicht: |
08 October 2019
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| In: |
The journal of chemical physics
Year: 2019, Jahrgang: 151, Heft: 14 |
| ISSN: | 1089-7690 |
| DOI: | 10.1063/1.5120833 |
| Online-Zugang: | Verlag, Volltext: https://doi.org/10.1063/1.5120833 Verlag, Volltext: https://aip.scitation.org/doi/10.1063/1.5120833 
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| Verfasserangaben: | Hideki Kobayashi, Paul B. Rohrbach, Robert Scheichl, Nigel B. Wilding, and Robert L. Jack |
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| 520 | |a We present a method that exploits self-consistent simulation of coarse-grained and fine-grained models in order to analyze properties of physical systems. The method uses the coarse-grained model to obtain a first estimate of the quantity of interest, before computing a correction by analyzing properties of the fine system. We illustrate the method by applying it to the Asakura-Oosawa model of colloid-polymer mixtures. We show that the liquid-vapor critical point in that system is affected by three-body interactions which are neglected in the corresponding coarse-grained model. We analyze the size of this effect and the nature of the three-body interactions. We also analyze the accuracy of the method as a function of the associated computational effort. | ||
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| 700 | 1 | |a Wilding, Nigel B. |e VerfasserIn |4 aut | |
| 700 | 1 | |a Jack, Robert L. |e VerfasserIn |4 aut | |
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