The ICC* Algorithm: A fast way to include dielectric boundary effects into molecular dynamics simulations
Soft Condensed Matter
2010-03-08 v1
Abstract
We employ a fast and accurate algorithm to treat dielectric interfaces within molecular dynamics simulations and demonstrate the importance of dielectric boundary forces (DBFs) in two systems of interests in soft-condensed matter science. We investigate a salt solution confined to a slit pore, and a model of a DNA fragment translocating thorugh a narrow pore.
Cite
@article{arxiv.1003.1271,
title = {The ICC* Algorithm: A fast way to include dielectric boundary effects into molecular dynamics simulations},
author = {Stefan Kesselheim and Marcello Sega and Christian Holm},
journal= {arXiv preprint arXiv:1003.1271},
year = {2010}
}
Comments
3 pages, 2 figures