Related papers: LBsoft: a parallel open-source software for simula…
This paper introduces a random-batch molecular dynamics (RBMD) package for fast simulations of particle systems at the nano/micro scale. Different from existing packages, the RBMD uses random batch methods for nonbonded interactions of…
Exascale computing systems will exhibit high degrees of hierarchical parallelism, with thousands of computing nodes and hundreds of cores per node. Efficiently exploiting hierarchical parallelism is challenging due to load imbalance that…
High-performance computing systems are more and more often based on accelerators. Computing applications targeting those systems often follow a host-driven approach in which hosts offload almost all compute-intensive sections of the code…
In this talk I discuss the general question of the portability of Molecular Dynamics codes for diffusive systems on parallel computers of the APE family. The intrinsic single precision arithmetics of the today available APE platforms does…
We explore a novel simulation route for Plasma Wakefield Acceleration (PWFA) by using the computational method known as the Lattice Boltzmann Method (LBM). LBM is based on a discretization of the continuum kinetic theory while assuring the…
A simple model for simulating flows of active suspensions is investigated. The approach is based on dissipative particle dynamics. While the model is potentially applicable to a wide range of self-propelled particle systems, the specific…
We introduce a modified and simplified version of the pre-existing fully parallelized three-dimensional Navier--Stokes flow solver known as TPLS. We demonstrate how the simplified version can be used as a pedagogical tool for the study of…
Fluid flow simulation is a highly active area with applications in a wide range of engineering problems and interactive systems. Meshless methods like the Moving Particle Semi-implicit (MPS) are a great alternative to deal efficiently with…
We propose a quantum algorithm for the Lattice Boltzmann (LB) method to simulate fluid flows in the low Reynolds number regime. First, we encode the particle distribution functions (PDFs) as probability amplitudes of the quantum state and…
This work introduces CLIP, a CUDA-accelerated phase-field lattice Boltzmann framework for simulating immiscible two-phase flows with high density and viscosity ratios in both two- and three-dimensional domains. By leveraging GPU…
Accurately capturing the dynamic forces acting on rotors as well as their wake effects presents a significant challenge for computational fluid dynamics (CFD) due to high Reynolds numbers and a large range of spatio-temporal scales. The…
Numerical codes using the Lattice Boltzmann Methods (LBM) for simulating one- or two-phase flows are widely compiled and run on graphical process units. However, those computational units necessitate to re-write the program by using a…
Numerical simulations of flows are required for numerous applications, and are usually carried out using shallow water equations. We describe the FullSWOF software which is based on up-to-date finite volume methods and well-balanced schemes…
This study develops a computationally efficient phase-field lattice Boltzmann model with the capability to simulate thermocapillary flows. The model was implemented into the open-source simulation framework, waLBerla, and extended to…
We present a regularized version of the color gradient lattice Boltzmann (LB) scheme for the simulation of droplet formation in microfluidic devices of experimental relevance. The regularized version is shown to provide computationally…
This paper presents a model for the simulation of liquid-gas-solid flows by means of the lattice Boltzmann method. The approach is built upon previous works for the simulation of liquid-solid particle suspensions on the one hand, and on a…
Current supercomputers often have a heterogeneous architecture using both CPUs and GPUs. At the same time, numerical simulation tasks frequently involve multiphysics scenarios whose components run on different hardware due to multiple…
Quantum computing has the potential to reduce the computational cost required for quantum dynamics simulations. However, existing quantum algorithms for coupled electron-nuclear dynamics simulation either require fault-tolerant devices, or…
Simulations of electrochemical double layer capacitors based on porous carbon electrodes, energy storage systems which accumulate and release energy through reversible ion adsorption at electrode/electrolyte interfaces, are often performed…
A coarse-grained version of the Lattice Boltzmann (LB) method is developed with the intent of enhancing its geometrical flexibility so as to be able to tackle a wider class of flows of engineering interest. To this purpose, the original…