The Community for Technology Leaders
Green Image
Issue No. 04 - July/August (2008 vol. 10)
ISSN: 1521-9615
pp: 10-19
Simone Melchionna , National Research Council, Italy
Sauro Succi , National Research Council, Italy
Maria Fyta , Harvard University
Efthimios Kaxiras , Harvard University
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
Simone Melchionna, Sauro Succi, Maria Fyta, Efthimios Kaxiras, "Multiscale Simulation of Nanobiological Flows", Computing in Science & Engineering, vol. 10, no. , pp. 10-19, July/August 2008, doi:10.1109/MCSE.2008.100
95 ms
(Ver )