Computationally efficient algorithms for Brownian dynamics simulation of long flexible macromolecules modeled as bead-rod chains-Reference-Cited by-同舟云学术

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Computationally efficient algorithms for Brownian dynamics simulation of long flexible macromolecules modeled as bead-rod chains

Published:2017-02-17 Issue:2 Volume:2 Page:
ISSN:2469-990X
Container-title:Physical Review Fluids
language:en
Short-container-title:Phys. Rev. Fluids

Author:

Moghani Mahdy Malekzadeh,Khomami Bamin

Funder

University of Tennessee

U.S. Department of Energy

Publisher

American Physical Society (APS)

Subject

Fluid Flow and Transfer Processes,Modeling and Simulation,Computational Mechanics

Link

http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevFluids.2.023303/fulltext

Reference43 articles.

1. Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

2. Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water models

3. Quantum mechanical calculation of the effects of stiff and rigid constraints in the conformational equilibrium of the alanine dipeptide

4. Statistical Physics and Economics: Concepts, Tools and Applications

5. Applications of a constrained mechanics methodology in economics

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1. Analysis and estimation of time step sizes and stiffness parameters for efficient simulations of macromolecules with hydrodynamic interactions;Physics of Fluids;2024-03-01

2. Brownian dynamics simulations of bottlebrush polymers in dilute solution under simple shear and uniaxial extensional flows;The Journal of Chemical Physics;2024-01-23

3. Dilute polymer solutions under shear flow: Comprehensive qualitative analysis using a bead-spring chain model with a FENE-Fraenkel spring;Journal of Rheology;2023-01-13

4. Nonmonotonic dependence of comb polymer relaxation on branch density in semidilute solutions of linear polymers;Physical Review Fluids;2020-12-17

5. Universal dynamics of dilute and semidilute solutions of flexible linear polymers;Current Opinion in Colloid & Interface Science;2019-10

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