activity
20142026
most citedStrong scaling of general-purpose molecular dynamics simulations on GPUs

687 citations · 776 across the 5 of their papers we have counts for

collaborators

6 papers

cs.LG2026

Sheaf-MPNN: A Library for Sheaf Neural Networks as Message Passing

Alessio Borgi, Mario Severino, Luke Braithwaite +14

Standard Graph Neural Networks (GNNs) implicitly assume that neighboring nodes share the same feature space, which contributes to oversmoothing and poor performance on heterophilic…

cs.DC2026

LBFAST: A Lightweight Moment-Represented Lattice Boltzmann Solver for Multi-GPU Architectures

Marco Lauricella, Andrea Montessori, Giorgio Amati +4

We present LBFAST, a GPU-oriented lattice Boltzmann solver based on a lightweight moment-represented formulation, in which post-collision populations are reconstructed on the fly f…

cs.DC2023★ 23 cited

Design of an energy aware petaflops class high performance cluster based on power architecture

W. A. Ahmad, A. Bartolini, F. Beneventi +9

In this paper we present D.A.V.I.D.E. (Development for an Added Value Infrastructure Designed in Europe), an innovative and energy efficient High Performance Computing cluster desi…

physics.flu-dyn2022★ 44 cited

FluTAS: A GPU-accelerated finite difference code for multiphase flows

Marco Crialesi-Esposito, Nicolo Scapin, Andreas D. Demou +4

We present the Fluid Transport Accelerated Solver, FluTAS, a scalable GPU code for multiphase flows with thermal effects. The code solves the incompressible Navier-Stokes equation…

physics.comp-ph2021★ 22 cited

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,…

physics.comp-ph2014★ 687 cited

Strong scaling of general-purpose molecular dynamics simulations on GPUs

Jens Glaser, Trung Dac Nguyen, Joshua A. Anderson +5

We describe a highly optimized implementation of MPI domain decomposition in a GPU-enabled, general-purpose molecular dynamics code, HOOMD-blue (Anderson and Glotzer, arXiv:1308.55…