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Issue No. 04 - July/August (2008 vol. 10)
ISSN: 1521-9615
pp: 10-19
Maria Fyta , Harvard University
Simone Melchionna , National Research Council, Italy
Efthimios Kaxiras , Harvard University
Sauro Succi , National Research Council, Italy
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.
INDEX TERMS
multiscale modeling, multiscale coupling, multiscale modeling, Lattice Boltzmann equation, nanopores, atomistic dynamics, nanoscale modeling, nanoscale
CITATION

S. Melchionna, S. Succi, M. Fyta and E. Kaxiras, "Multiscale Simulation of Nanobiological Flows," in Computing in Science & Engineering, vol. 10, no. , pp. 10-19, 2008.
doi:10.1109/MCSE.2008.100
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