Extended Brownian dynamics approach to diffusion-controlled processes

Gene Lamm, Klaus J Schulten

Research output: Contribution to journalArticle

Abstract

The method of Brownian dynamics to simultate trajectories of particles diffusing under the influence of external forces is extended to the approximation of local linear forces and to reflective boundaries possibly confining the diffusion space. A simple algorithm for the generation of random diffusive displacements is developed and its validity demonstrated by comparison with analytical and numerical descriptions of sample one-dimensional diffusion distributions.

Original languageEnglish (US)
Pages (from-to)365-371
Number of pages7
JournalThe Journal of Chemical Physics
Volume75
Issue number1
DOIs
StatePublished - Jan 1 1981

Fingerprint

confining
Trajectories
trajectories
approximation

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Extended Brownian dynamics approach to diffusion-controlled processes. / Lamm, Gene; Schulten, Klaus J.

In: The Journal of Chemical Physics, Vol. 75, No. 1, 01.01.1981, p. 365-371.

Research output: Contribution to journalArticle

Lamm, Gene ; Schulten, Klaus J. / Extended Brownian dynamics approach to diffusion-controlled processes. In: The Journal of Chemical Physics. 1981 ; Vol. 75, No. 1. pp. 365-371.
@article{3f22b31e4e64407f9329a8f83a3adcf9,
title = "Extended Brownian dynamics approach to diffusion-controlled processes",
abstract = "The method of Brownian dynamics to simultate trajectories of particles diffusing under the influence of external forces is extended to the approximation of local linear forces and to reflective boundaries possibly confining the diffusion space. A simple algorithm for the generation of random diffusive displacements is developed and its validity demonstrated by comparison with analytical and numerical descriptions of sample one-dimensional diffusion distributions.",
author = "Gene Lamm and Schulten, {Klaus J}",
year = "1981",
month = "1",
day = "1",
doi = "10.1063/1.441789",
language = "English (US)",
volume = "75",
pages = "365--371",
journal = "Journal of Chemical Physics",
issn = "0021-9606",
publisher = "American Institute of Physics Publising LLC",
number = "1",

}

TY - JOUR

T1 - Extended Brownian dynamics approach to diffusion-controlled processes

AU - Lamm, Gene

AU - Schulten, Klaus J

PY - 1981/1/1

Y1 - 1981/1/1

N2 - The method of Brownian dynamics to simultate trajectories of particles diffusing under the influence of external forces is extended to the approximation of local linear forces and to reflective boundaries possibly confining the diffusion space. A simple algorithm for the generation of random diffusive displacements is developed and its validity demonstrated by comparison with analytical and numerical descriptions of sample one-dimensional diffusion distributions.

AB - The method of Brownian dynamics to simultate trajectories of particles diffusing under the influence of external forces is extended to the approximation of local linear forces and to reflective boundaries possibly confining the diffusion space. A simple algorithm for the generation of random diffusive displacements is developed and its validity demonstrated by comparison with analytical and numerical descriptions of sample one-dimensional diffusion distributions.

UR - http://www.scopus.com/inward/record.url?scp=0345704049&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0345704049&partnerID=8YFLogxK

U2 - 10.1063/1.441789

DO - 10.1063/1.441789

M3 - Article

AN - SCOPUS:0345704049

VL - 75

SP - 365

EP - 371

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 1

ER -