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...
Saved in:
| Main Authors: | , , , , |
|---|---|
| Format: | Article (Journal) |
| Language: | English |
| Published: |
08 October 2019
|
| In: |
The journal of chemical physics
Year: 2019, Volume: 151, Issue: 14 |
| ISSN: | 1089-7690 |
| DOI: | 10.1063/1.5120833 |
| Online Access: | Verlag, Volltext: https://doi.org/10.1063/1.5120833 Verlag, Volltext: https://aip.scitation.org/doi/10.1063/1.5120833 
|
| Author Notes: | Hideki Kobayashi, Paul B. Rohrbach, Robert Scheichl, Nigel B. Wilding, and Robert L. Jack |
| Summary: | 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. |
|---|---|
| Item Description: | Gesehen am 14.01.2020 |
| Physical Description: | Online Resource |
| ISSN: | 1089-7690 |
| DOI: | 10.1063/1.5120833 |