126 citations · 877 across the 41 of their papers we have counts for
9 papers · 1 filter
Comparison of effective and stable Langevin dynamics integrators
Bogdan Tanygin, Simone Melchionna
Langevin and Brownian simulations play a prominent role in computational research, and state of the art integration algorithms provide trajectories with different stability ranges…
Mesoscopic simulations at the physics-chemistry-biology interface
Massimo Bernaschi, Simone Melchionna, Sauro Succi
We discuss the Lattice Boltzmann-Particle Dynamics (LBPD) multiscale paradigm for the simulation of complex states of flowing matter at the interface between Physics, Chemistry and…
Disordered interfaces in soft fluids with suspended colloids
Adriano Tiribocchi, Marco Lauricella, Andrea Montessori +2
Computer simulations of bi-continuous two-phase fluids with intersparsed dumbbells show that, unlike rigid colloids, soft dumbbells do not lead to arrested coarsening. However, the…
Simulating Soft-Sphere Margination in Arterioles and Venules
Giacomo Falcucci, Simone Melchionna, Paolo Decuzzi +1
In this paper, we deploy a Lattice Boltzmann - Particle Dynamics (LBPD) method to dissect the transport properties within arterioles and venules. First, the numerical approach is a…
Entropic Lattice Boltzmann Model for Charged Leaky Dielectric Multiphase Fluids in Electrified Jets
Marco Lauricella, Simone Melchionna, Andrea Montessori +3
We present a lattice Boltzmann model for charged leaky dielectric multiphase fluids in the context of electrified jet simulations, which are of interest for a number of production…
Accelerated kinetic over-relaxation for dynamic energy minimization in lattice many-body problems
Nasrollah Moradi, Andreas Greiner, Simone Melchionna +2
A kinetic over-relaxation minimizer, based on a lattice version of the Boltzmann equation is presented. The method is validated against standard Metropolis Monte Carlo, and proves…
Quantized current blockade and hydrodynamic correlations in biopolymer translocation through nanopores: evidence from multiscale simulations
Massimo Bernaschi, Simone Melchionna, Sauro Succi +2
We present a detailed description of biopolymer translocation through a nanopore in the presence of a solvent, using an innovative multi-scale methodology which treats the biopolym…
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…
Design of quasi-symplectic propagators for Langevin dynamics
Simone Melchionna
A vector field splitting approach is discussed for the systematic derivation of numerical propagators for deterministic dynamics. Based on the formalism, a class of numerical integ…