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Two of the most successful methods that are presently available for simulating the quantum dynamics of condensed phase systems are centroid molecular dynamics (CMD) and ring polymer molecular dynamics (RPMD). Despite their conceptual…

Chemical Physics · Physics 2014-07-04 Mariana Rossi , Michele Ceriotti , David E. Manolopoulos

Computational Fluid Dynamics simulations are crucial in industrial applications but require extensive computational resources, particularly for extreme turbulent regimes. While classical digital approaches remain the standard, quantum…

Quantum Physics · Physics 2025-04-18 Francesco Turro , Alessandra Lignarolo , Daniele Dragoni

Soft particles at fluid interfaces play an important role in many aspects of our daily life, such as the food industry, paints and coatings, and medical applications. Analytical methods are not capable of describing the emergent effects of…

Computational Physics · Physics 2019-09-25 Maarten Wouters , Othmane Aouane , Timm Krueger , Jens Harting

We discuss in detail a recently proposed hybrid particle-continuum scheme for complex fluids and evaluate it at the example of a confined homopolymer solution in slit geometry. The hybrid scheme treats polymer chains near the impenetrable…

Soft Condensed Matter · Physics 2016-10-28 Shuanhu Qi , Hans Behringer , Thorsten Raasch , Friederike Schmid

Heat conduction in low-dimensional systems exhibits strong deviations from Fourier behavior due to anharmonicity and long-lived vibrational correlations, challenging conventional computational approaches. The…

The pseudopotential lattice Boltzmann method (LBM) is a prominent approach for simulating multiphase flows, valued for its physical intuitiveness and computational tractability. However, existing immiscible pseudopotential methods for…

Fluid Dynamics · Physics 2026-03-02 Yizhong Chen , Zhibin Wang

The lattice Boltzmann method (LBM) has recently emerged as an efficient alternative to classical Navier-Stokes solvers. This is particularly true for hemodynamics in complex geometries. However, in its most basic formulation, {i.e.} with…

Computational Physics · Physics 2021-01-28 S. A. Hosseini , P. Berg , F. Huang , C. Roloff , G. Janiga , D. Thévenin

Engineering design often involves representation in at least two levels of abstraction: the system-level, represented by lumped parameter models (LPMs), and the geometric-level, represented by distributed parameter models (DPMs). Functional…

Systems and Control · Electrical Eng. & Systems 2024-04-11 Randi Wang , Vadim Shapiro , Morad Behandish

Dissipative Particle Dynamics (DPD) is a popular simulation model for investigating hydrodynamic behavior of systems with non-negligible equilibrium thermal fluctuations. DPD employs soft core repulsive interactions between the system…

Statistical Mechanics · Physics 2016-03-23 Oded Farago , Niels Grønbech-Jensen

Memory-bound algorithms show complex performance and energy consumption behavior on multicore processors. We choose the lattice-Boltzmann method (LBM) on an Intel Sandy Bridge cluster as a prototype scenario to investigate if and how…

Performance · Computer Science 2015-05-25 Markus Wittmann , Georg Hager , Thomas Zeiser , Jan Treibig , Gerhard Wellein

A hybrid lattice Boltzmann/finite-difference solver for low Mach thermo-compressible flows developed in earlier works is extended to more realistic and challenging configurations involving turbulence and complex geometries in the present…

Fluid Dynamics · Physics 2022-07-26 S. A. Hosseini , N. Darabiha , D. Thevenin

Current GPU-accelerated supercomputers promise to enable large-scale simulations of turbulent flows. Lattice Boltzmann Methods (LBM) are particularly well-suited to fulfilling this promise due to their intrinsic compatibility with highly…

Computational Physics · Physics 2025-06-30 Adrian Kummerländer , Fedor Bukreev , Yuji Shimojima , Shota Ito , Mathias J. Krause

After a brief review of the Fermi-Pasta-Ulam (FPU) conservative system of N nonlinearly coupled oscillators, this paper addresses two problems: first, comparing two indicators for the equipartition, showing that the results are essentially…

Dynamical Systems · Mathematics 2015-04-30 Jacopo De Tullio

We describe a high-performance implementation of the lattice Boltzmann method (LBM) for sparse 3D geometries on graphic processors (GPU). The main contribution of this work is a data layout that allows to minimise the number of redundant…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-10-10 Tadeusz Tomczak , Roman G. Szafran

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…

The numerical simulation of multiphase flows involving dispersed components with large scale disparities, such as the collisions between millimeter-sized bubbles and micron-sized mineral particles in flotation, poses a significant…

Fluid Dynamics · Physics 2026-05-21 Linfeng Jiang , Enrico Calzavarini , Dominik Krug

Lattice Boltzmann method models offer a novel framework for the simulation of high Reynolds number dilute gravity currents. The numerical algorithm is well suited to acceleration via implementation on massively parallel computer…

In this paper, a diffuse-interface lattice Boltzmann method (DI-LBM) is developed for fluid-particle interaction problems. In this method, the sharp interface between the fluid and solid is replaced by a thin but nonzero thickness…

Computational Physics · Physics 2021-06-17 Jiao Liu , Changsheng Huang , Zhenhua Chai , Baochang Shi

Discrete Element Methods (DEM), i.e.~the simulation of many rigid particles, suffer from very stiff differential equations plus multiscale challenges in space and time. The particles move smoothly through space until they interact almost…

Mathematical Software · Computer Science 2023-09-28 Peter Noble , Tobias Weinzierl

The Cellular Potts Model (CPM) is a lattice based modeling technique which is widely used for simulating cellular patterns such as foams or biological tissues. Despite its realism and generality, the standard Monte Carlo algorithm used in…

Soft Condensed Matter · Physics 2016-09-14 Marc Durand , Etienne Guesnet
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