Publications (35)
Parallel multiscale modeling of biopolymer dynamics with hydrodynamic correlations
Maria Fyta, Jayanta Sircar, Efthimios Kaxiras +3
Stabilized Lattice Boltzmann-Enskog method for compressible flows and its application to one and two-component fluids in nanochannels
Simone Melchionna, Umberto Marini Bettolo Marconi
Multicomponent Diffusion in Nanosystems
Umberto Marini Bettolo Marconi, Simone Melchionna
Electro-osmotic flows under nanoconfinement: a self-consistent approach
Simone Melchionna, Umberto Marini Bettolo Marconi
Numerical simulation of conformational variability in biopolymer translocation through wide nanopores
Maria Fyta, Simone Melchionna, Massimo Bernaschi +2
Electrokinetic Lattice Boltzmann solver coupled to Molecular Dynamics: application to polymer translocation
Adwait V. Datar, Maria Fyta, Umberto Marini Bettolo Marconi +1
Quantized current blockade and hydrodynamic correlations in biopolymer translocation through nanopores: evidence from multiscale simulations
Massimo Bernaschi, Simone Melchionna, Sauro Succi +2
Multiscale modeling of biopolymer translocation through a nanopore
Maria Fyta, Simone Melchionna, Efthimios Kaxiras +1
Dynamics of Fluid Mixtures in Nanospaces
Umberto Marini Bettolo Marconi, Simone Melchionna
Water confined in nanopores: spontaneous formation of microcavities
John Russo, Simone Melchionna, Francesco De Luca +1
Exploring DNA translocation through a nanopore via a multiscale Lattice-Boltzmann Molecular-Dynamics methodology
Simone Melchionna, Maria Fyta, Efthimios Kaxiras +1
Lattice Boltzmann Method for mixtures at variable Schmidt number
Michele Monteferrante, Simone Melchionna, Umberto Marini Bettolo Marconi
A model for red blood cells in simulations of large-scale blood flows
Simone Melchionna
Mesoscopic simulations at the physics-chemistry-biology interface
Massimo Bernaschi, Simone Melchionna, Sauro Succi
Pressure and surface tension of an active simple liquid: a comparison between kinetic, mechanical and free-energy based approaches
Umberto Marini Bettolo Marconi, Claudio Maggi, Simone Melchionna
Mapping Reactive Flow Patterns in Monolithic Nanoporous Catalysts
Giacomo Falcucci, Sauro Succi, Andrea Montessori +8
Towards a mesoscopic model of water-like fluids with hydrodynamic interactions
Irene Mazzitelli, Maddalena Venturoli, Simone Melchionna +1
Design of quasi-symplectic propagators for Langevin dynamics
Simone Melchionna
Dynamic density functional theory versus Kinetic theory of simple fluids
Umberto Marini Bettolo Marconi, Simone Melchionna
Kinetic Density Functional Theory: A microscopic approach to fluid mechanics
Umberto Marini Bettolo Marconi, Simone Melchionna
Modulation of current through a nanopore induced by a charged globule: implications for DNA-docking
Mauro Chinappi, Carlo Massimo Casciola, Fabio Cecconi +2
Charge transport in nanochannels: a molecular theory
Umberto Marini Bettolo Marconi, Simone Melchionna
Intermittent permeation of cylindrical nanopores by water
Rosalind Allen, Simone Melchionna, Jean-Pierre Hansen
Coupling Lattice Boltzmann with Atomistic Dynamics for the multiscale simulation of nano-biological flows
Maria Fyta, Simone Melchionna, Efthimios Kaxiras +1
Electro-osmotic flow in coated nanocapillaries: a theoretical investigation
Umberto Marini Bettolo Marconi, Michele Monteferrante, Simone Melchionna
Simulating Soft-Sphere Margination in Arterioles and Venules
Giacomo Falcucci, Simone Melchionna, Paolo Decuzzi +1
Solving the Fokker-Planck kinetic equation on a lattice
Daniele Moroni, Benjamin Rotenberg, Jean-Pierre Hansen +2
Hydrodynamic correlations in the translocation of biopolymer through a nanopore: theory and multiscale simulations
Maria Fyta, Simone Melchionna, Sauro Succi +1
Quantized biopolymer translocation through nanopores: departure from simple scaling
Simone Melchionna, Massimo Bernaschi, Maria Fyta +2
A unified framework for dynamic density functional and Lattice Boltzmann methods
Umberto Marini Bettolo Marconi, Simone Melchionna
Phase-space approach to dynamical density functional theory
Umberto Marini Bettolo Marconi, Simone Melchionna
Multiscale coupling of molecular dynamics and hydrodynamics: application to DNA translocation through a nanopore
Maria G. Fyta, Simone Melchionna, Efthimios Kaxiras +1
Weighted density Lattice Boltzmann approach to fluids under confinement
Umberto Marini Bettolo Marconi, Simone Melchionna
Steric modulation of ionic currents in DNA translocation through nanopores
Valerio Mazzone, Simone Melchionna, Umberto Marini Bettolo Marconi
Accelerated kinetic over-relaxation for dynamic energy minimization in lattice many-body problems
Nasrollah Moradi, Andreas Greiner, Simone Melchionna +2