DocumentCode
762298
Title
Multiscale Simulation of Nanobiological Flows
Author
Fyta, Maria ; Melchionna, Simone ; Kaxiras, Efthimios ; Succi, Sauro
Author_Institution
Harvard Univ., Cambridge, MA
Volume
10
Issue
4
fYear
2008
Firstpage
10
Lastpage
19
Abstract
A new multiscale approach for simulating nanobiological flows uses concurrent coupling of constrained molecular dynamics for long biomolecules with a mesoscopic lattice Boltzmann treatment of solvent hydrodynamics. The approach is based on a simple scheme of space- time information exchange between the atomistic and mesoscopic scales.
Keywords
Boltzmann equation; biology computing; digital simulation; flow simulation; molecular biophysics; molecular dynamics method; biomolecules; mesoscopic lattice Boltzmann treatment; molecular dynamics; multiscale simulation; nanobiological flowsimulation; solvent hydrodynamics; space-time information exchange; Biological system modeling; Biological systems; Biology computing; Equations; Evolution (biology); Kinetic theory; Lattice Boltzmann methods; Nanobioscience; Physics computing; Solvents; Lattice Boltzmann equation; atomistic dynamics; multiscale coupling; multiscale modeling; nanopores; nanoscale; nanoscale modeling;
fLanguage
English
Journal_Title
Computing in Science & Engineering
Publisher
ieee
ISSN
1521-9615
Type
jour
DOI
10.1109/MCSE.2008.100
Filename
4548200
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