492 citations · 6.6k across the 217 of their papers we have counts for
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Duality in matrix lattice Boltzmann models
R. Adhikari, S. Succi
The notion of duality between the hydrodynamic and kinetic (ghost) variables of lattice kinetic formulations of the Boltzmann equation is introduced. It is suggested that this noti…
Parallel multiscale modeling of biopolymer dynamics with hydrodynamic correlations
Maria Fyta, Jayanta Sircar, Efthimios Kaxiras +3
We employ a multiscale approach to model the translocation of biopolymers through nanometer size pores. Our computational scheme combines microscopic Molecular Dynamics (MD) with a…
Coupling Lattice Boltzmann with Atomistic Dynamics for the multiscale simulation of nano-biological flows
Maria Fyta, Simone Melchionna, Efthimios Kaxiras +1
We describe a recent multiscale approach based on the concurrent coupling of constrained molecular dynamics for long biomolecules with a mesoscopic lattice Boltzmann treatment of s…
Capillary filling using Lattice Boltzmann Equations: the case of multi-phase flows
F. Diotallevi, L. Biferale, S. Chibbaro +5
We present a systematic study of capillary filling for multi-phase flows by using mesoscopic lattice Boltzmann models describing a diffusive interface moving at a given contact ang…
Multiscale modeling of biopolymer translocation through a nanopore
Maria Fyta, Simone Melchionna, Efthimios Kaxiras +1
We employ a multiscale approach to model the translocation of biopolymers through nanometer size pores. Our computational scheme combines microscopic Langevin molecular dynamics (M…
Exploring DNA translocation through a nanopore via a multiscale Lattice-Boltzmann Molecular-Dynamics methodology
Simone Melchionna, Maria Fyta, Efthimios Kaxiras +1
A multiscale approach is used to simulate the translocation of DNA through a nanopore. Within this scheme, the interactions of the molecule with the surrounding fluid (solvent) are…
Multiscale coupling of molecular dynamics and hydrodynamics: application to DNA translocation through a nanopore
Maria G. Fyta, Simone Melchionna, Efthimios Kaxiras +1
We present a multiscale approach to the modeling of polymer dynamics in the presence of a fluid solvent. The approach combines Langevin Molecular Dynamics (MD) techniques with a me…