Automatic Coarse Graining of Polymers
| dc.creator | Faller, Roland | |
| dc.date | 2003-11-14 | |
| dc.date.accessioned | 2026-07-07T02:54:47Z | |
| dc.date.available | 2026-07-07T02:54:47Z | |
| dc.description | Several recently proposed semi--automatic and fully--automatic coarse--graining schemes for polymer simulations are discussed. All these techniques derive effective potentials for multi--atom units or super--atoms from atomistic simulations. These include techniques relying on single chain simulations in vacuum and self--consistent optimizations from the melt like the simplex method and the inverted Boltzmann method. The focus is on matching the polymer structure on different scales. Several ways to obtain a time-scale for dynamic mapping are discussed additionally. Finally, similarities to other simulation areas where automatic optimization are applied as well are pointed out. | |
| dc.description | 17 pages, 5 figures | |
| dc.identifier | https://arxiv.org/abs/cond-mat/0311358 | |
| dc.identifier | http://arxiv.org/abs/cond-mat/0311358 | |
| dc.identifier | POLYMER 45(11), 3869-3876 (2004) | |
| dc.identifier | doi:10.1016/j.polymer.2003.11.053 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/22698 | |
| dc.subject | Soft Condensed Matter | |
| dc.subject | Materials Science | |
| dc.title | Automatic Coarse Graining of Polymers | |
| dc.type | text |