DOI: 10.1063/1.436761. Brownian dynamics with hydrodynamic interactions

Brownian dynamics with hydrodynamic interactions

10.1063/1.436761

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

A method for simulating the Brownian dynamics of N particles with the inclusion of hydrodynamic interactions is described. The particles may also be subject to the usual interparticle or external forces (e.g., electrostatic) which have been included in previous methods for simulating Brownian dynamics of particles in the absence of hydrodynamic interactions. The present method is derived from the Langevin equations for the N particle assembly, and the results are shown to be consistent with the corresponding Fokker–Planck results. Sample calculations on small systems illustrate the importance of including hydrodynamic interactions in Brownian dynamics simulations. The method should be useful for simulation studies of diffusion limited reactions, polymer dynamics, protein folding, particle coagulation, and other phenomena in solution.

Bibliography

Ermak, D. L., & McCammon, J. A. (1978). Brownian dynamics with hydrodynamic interactions. The Journal of Chemical Physics, 69(4), 1352â1360.

Authors 2

Donald L. Ermak (first)
J. A. McCammon (additional)

References 44 Referenced 2,151

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Dates

Type	When
Created	22 years, 6 months ago (Feb. 27, 2003, 4:26 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 1:48 p.m.)
Indexed	4 days, 11 hours ago (Aug. 29, 2025, 6:13 a.m.)
Issued	47 years ago (Aug. 15, 1978)
Published	47 years ago (Aug. 15, 1978)
Published Print	47 years ago (Aug. 15, 1978)

Funders 0

None

BibTeX

@article{Ermak_1978, title={Brownian dynamics with hydrodynamic interactions}, volume={69}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.436761}, DOI={10.1063/1.436761}, number={4}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Ermak, Donald L. and McCammon, J. A.}, year={1978}, month=aug, pages={1352–1360} }

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