Adaptive Resolution Simulation of Liquid Water

Thumbnail Image

Date

Authors

Journal Title

Journal ISSN

Volume Title

Publisher

Abstract

Description

We present a multiscale simulation of liquid water where a spatially adaptive molecular resolution procedure allows for changing on-the-fly from a coarse-grained to an all-atom representation. We show that this approach leads to the correct description of all essential thermodynamic and structural properties of liquid water.
4 pages, 3 figures; changed figure 2

Keywords

Soft Condensed Matter, Statistical Mechanics

Citation

URI

http://salesiana.dossiersoluciones.com/handle/123456789/133099

Consulte el texto completo en el siguiente enlace:

https://arxiv.org/abs/cond-mat/0611544
 http://arxiv.org/abs/cond-mat/0611544
 J. Phys.: Condens. Matter 19, 292201, 2007
 doi:10.1088/0953-8984/19/29/292201

Collections

arXiv