The ICC* Algorithm: A fast way to include dielectric boundary effects into molecular dynamics simulations
arXiv:1003.1271
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.
3 pages, 2 figures