119 citations · 780 across the 49 of their papers we have counts for
7 papers · 1 filter
Multiscale Hybrid Modeling of Proteins in Solvent: SARS-CoV2 Spike Protein as test case for Lattice Boltzmann -- All Atom Molecular Dynamics Coupling
Marco Lauricella, Letizia Chiodo, Fabio Bonaccorso +6
Physiological solvent flows surround biological structures triggering therein collective motions. Notable examples are virus/host-cell interactions and solvent-mediated allosteric…
LBcuda: a high-performance CUDA port of LBsoft for simulation of colloidal systems
Fabio Bonaccorso, Marco Lauricella, Andrea Montessori +5
We present LBcuda, a GPU accelerated version of LBsoft, our open-source MPI-based software for the simulation of multi-component colloidal flows. We describe the design principles,…
Microscale modelling of dielectrophoresis assembly processes
Adriano Tiribocchi, Andrea Montessori, Marco Lauricella +3
This work presents a microscale approach for simulating the dielectrophoresis (DEP) assembly of polarizable particles under an external electric field. The model is shown to captur…
A Multiresolution Mesoscale Approach for Microscale Hydrodynamics
Andrea Montessori, Adriano Tiribocchi, Marco Lauricella +2
A new class of multiscale scheme is presented for micro-hydrodynamic problems based on a dual representation of the fluid observables. The hybrid model is first tested against the…
Towards Exascale Design of Soft Mesoscale Materials
Sauro Succi, Giorgio Amati, Fabio Bonaccorso +4
We provide a brief survey of our current developments in the simulation-based design of novel families of mesoscale porous materials using computational kinetic theory. Prospective…
LBsoft: a parallel open-source software for simulation of colloidal systems
Fabio Bonaccorso, Andrea Montessori, Adriano Tiribocchi +4
We present LBsoft, an open-source software developed mainly to simulate the hydro-dynamics of colloidal systems based on the concurrent coupling between lattice Boltzmann methods f…
Lattice Boltzmann simulations capture the multiscale physics of soft flowing crystals
Andrea Montessori, Adriano Tiribocchi, Fabio Bonaccorso +2
The study of the underlying physics of soft flowing materials depends heavily on numerical simulations, due to the complex structure of the governing equations reflecting the compe…