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The molecular dynamics simulation code ls1 mardyn is presented. It is a highly scalable code, optimized for massively parallel execution on supercomputing architectures, and currently holds the world record for the largest molecular…

The Quantum Lattice Boltzmann Method (QLBM) is one of the most promising approaches for realizing the potential of quantum computing in simulating computational fluid dynamics. Many recent works mostly focus on classical simulation, and…

Quantum Physics · Physics 2025-04-23 Apurva Tiwari , Jason Iaconis , Jezer Jojo , Sayonee Ray , Martin Roetteler , Chris Hill , Jay Pathak

We present an open-source code for the simulation of electron and ion transport for user-defined gas mixtures with static uniform electric and magnetic fields. The program provides microscopic interaction simulation and is interfaced with…

Computational Physics · Physics 2021-09-14 Michele Renda , Dan Andrei Ciubotaru , Calin Iulian Banu

Decoupling approach presents a novel solution/alternative to the highly time-consuming fluid-thermal-structural simulation procedures when thermal effects and resultant displacements on machine tools are analyzed. Using high dimensional…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-10-31 Janine Glänzel , Andreas Naumann , Tharun Suresh Kumar

Bioelectrochemistry is crucial for understanding biological functions and driving applications in synthetic biology, healthcare, and catalysis. However, current simulation methods fail to capture both the stochastic nature of molecular…

A hybrid lattice Boltzmann method (LBM) for binary mixtures based on the free-energy approach is proposed. Non-ideal terms of the pressure tensor are included as a body force in the LBM kinetic equations, used to simulate the continuity and…

Soft Condensed Matter · Physics 2015-05-13 A. Tiribocchi , N. Stella , G. Gonnella , A. Lamura

Detailed chemistry-based computational fluid dynamics (CFD) simulations are computationally expensive due to the solution of the underlying chemical kinetics system of ordinary differential equations (ODEs). Here, we introduce a novel…

We review the state of the art of active fluids with particular attention to hydrodynamic continuous models and to the use of Lattice Boltzmann Methods (LBM) in this field. We present the thermodynamics of active fluids, in terms of liquid…

Soft Condensed Matter · Physics 2019-10-07 Livio Nicola Carenza , Giuseppe Gonnella , Antonio Lamura , Giuseppe Negro , Adriano Tiribocchi

Integrating computational fluid dynamics (CFD) software into optimization and machine-learning frameworks is hampered by the rigidity of classic computational languages and the slow performance of more flexible high-level languages.…

Fluid Dynamics · Physics 2023-04-18 Gabriel D. Weymouth , Bernat Font

We utilize the Open Accelerator (OpenACC) approach for graphics processing unit (GPU) accelerated particle-resolved thermal lattice Boltzmann (LB) simulation. We adopt the momentum-exchange method to calculate fluid-particle interactions to…

Fluid Dynamics · Physics 2023-10-06 Ao Xu , Bo-Tao Li

We present a Lattice-Boltzmann method for simulating self-propelling (active) colloidal particles in two-dimensions. Active particles with symmetric and asymmetric force distribution on its surface are considered. The velocity field…

Soft Condensed Matter · Physics 2009-11-11 Sanoop Ramachandran , P. B. Sunil Kumar , I. Pagonabarraga

This paper describes a state-of-the-art parallel Lattice QCD Monte Carlo code for staggered fermions, purposely designed to be portable across different computer architectures, including GPUs and commodity CPUs. Portability is achieved…

We investigate the coupled dynamics of quantized vortices and normal fluid in superfluid $^4$He at finite temperatures using a numerical approach based on the vortex filament model (VFM) and lattice Boltzmann method (LBM). The LBM allows us…

Other Condensed Matter · Physics 2021-12-22 Sosuke Inui , Makoto Tsubota

We propose a hybrid lattice Boltzmann algorithm to simulate the hydrodynamics of colloidal particles inside a liquid crystalline host. To validate our algorithm, we study the static and the microrheology of a colloid in a nematic, with…

Soft Condensed Matter · Physics 2011-02-11 J. S. Lintuvuori , D. Marenduzzo , K. Stratford , M. E. Cates

We introduce JAX-LaB, a differentiable, Python-based Lattice Boltzmann simulation library designed for modeling multiphase and multiphysics fluid dynamics problems in hydrologic, geologic, and engineered porous media settings. The library…

Computational Physics · Physics 2025-11-18 Piyush Pradhan , Pierre Gentine , Shaina Kelly

By means of the multicomponent Shan-Chen lattice Boltzmann method (LBM), we investigate the multiphase flow through porous media. Despite the excellent accuracy of the LBM, large domains result in unaffordable computational expenses. The…

Computational Physics · Physics 2019-06-12 Eduard Puig Montellà , Chao Yuan , Bruno Chareyre , Antonio Gens

Lattice Boltzmann simulations have become a method of choice to solve the hydrodynamic equations of motion of a number of complex fluids. Here we review some recent applications of lattice Boltzmann to study the hydrodynamics of liquid…

Soft Condensed Matter · Physics 2010-09-08 M. E. Cates , O. Henrich , D. Marenduzzo , K. Stratford

A volumetric lattice Boltzmann (LB) method is developed for the particle-resolved direct numerical simulation of thermal particulate flows with conjugate heat transfer. This method is devised as a single-domain approach by applying the…

Computational Physics · Physics 2024-11-01 Xiaojie Zhang , Donglei Wang , Qing Li , Rongzong Huang

A new finite volume (FV) discretisation method for the Lattice Boltzmann (LB) equation which combines high accuracy with limited computational cost is presented. In order to assess the performance of the FV method we carry out a systematic…

Fluid Dynamics · Physics 2016-03-02 Kalyan Shrestha , Gilmar Mompean , Enrico Calzavarini

The Lattice Boltzmann method has been gaining acceptance for hydrodynamic problems involving complex boundaries, non-equilibrium dynamics and interfacial phenomena in multiphase or multicomponent systems. lb2d.pm is a Perl module offering a…

Fluid Dynamics · Physics 2014-02-04 Danilo Sergi
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