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Computational modeling of multicellular systems may aid in untangling cellular dynamics and emergent properties of biological cell populations. A key challenge is to balance the level of model detail and the computational efficiency, while…

Quantitative Methods · Quantitative Biology 2026-04-22 Erik Blom , Stefan Engblom

Scalable and efficient numerical simulations continue to gain importance, as computation is firmly established as the third pillar of discovery, alongside theory and experiment. Meanwhile, the performance of computing hardware grows through…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-06-26 Pietro Incardona , Antonio Leo , Yaroslav Zaluzhnyi , Rajesh Ramaswamy , Ivo F. Sbalzarini

We propose numerical simulations of viscoelastic fluids based on a hybrid algorithm combining Lattice-Boltzmann models (LBM) and Finite Differences (FD) schemes, the former used to model the macroscopic hydrodynamic equations, and the…

Computational Physics · Physics 2016-07-26 A. Gupta , M. Sbragaglia , A. Scagliarini

Discrete transparent boundary conditions (DTBC) and the Perfectly Matched Layers (PML) method for the realization of open boundary conditions in quantum device simulations are compared, based on the stationary and time-dependent…

Numerical Analysis · Mathematics 2015-06-18 Jan-Frederik Mennemann , Ansgar Jüngel

Immersed boundary-lattice Boltzmann method (IB-LBM) has been widely used for simulation of particle-laden flows recently. However, it was limited to small-scale simulations with no more than O(103) particles. Here, we expand IB-LBM for…

Computational Physics · Physics 2020-02-21 Maoqiang Jiang , Jing Li , Zhaohui Liu

An algorithm is proposed to implement unsteady jump boundary conditions, presenting discontinuity in physical quantities, within the lattice Boltzmann method (LBM). This is useful to tackle problems involving mass or heat transfer through…

Computational Physics · Physics 2018-11-06 Badr Kaoui

We derive the partial differential equation (PDE) to which the pseudo-potential lattice Boltzmann method (P-LBM) converges under diffusive scaling, providing a rigorous basis for its consistency analysis. By establishing a direct link…

A substantial number of algorithms exists for the simulation of moving particles suspended in fluids. However, finding the best method to address a particular physical problem is often highly non-trivial and depends on the properties of the…

Soft Condensed Matter · Physics 2015-02-10 Jens Harting , Stefan Frijters , Marco Ramaioli , Martin Robinson , Dietrich E. Wolf , Stefan Luding

In this paper, five different approaches for reduced-order modeling of brittle fracture in geomaterials, specifically concrete, are presented and compared. Four of the five methods rely on machine learning (ML) algorithms to approximate…

Computational Engineering, Finance, and Science · Computer Science 2018-06-07 A. Hunter , B. A. Moore , M. K. Mudunuru , V. T. Chau , R. L. Miller , R. B. Tchoua , C. Nyshadham , S. Karra , D. O. Malley , E. Rougier , H. S. Viswanathan , G. Srinivasan

The basic idea of fast Monte Carlo (MC) simulations is to perform particle-based MC simulations with the excluded-volume interactions modeled by "soft" repulsive potentials that allow particle overlapping. This gives much faster system…

Soft Condensed Matter · Physics 2012-01-24 Qiang Wang

We discuss the design of state-of-the-art numerical methods for molecular dynamics, focusing on the demands of soft matter simulation, where the purposes include sampling and dynamics calculations both in and out of equilibrium. We discuss…

Computational Physics · Physics 2020-02-14 Xiaocheng Shang , Martin Kröger , Benedict Leimkuhler

The study of metamaterials and architected materials has intensified interest in continuum mechanics models that capture size-dependent microstructure interactions. Among these, Consistent Couple-Stress Theory (C-CST) incorporates…

Numerical Analysis · Mathematics 2025-02-05 José Ortiz-Ocampo , Nicolás Guarín-Zapata

With the growing maturity of additive manufacturing, the fabrication of architected or lattice-based metamaterials has become a reality for industrial applications. These materials combine lightweight design with tailored mechanical…

Numerical Analysis · Mathematics 2026-03-12 Clément Guillet , Thibaut Hirschler , Pierre Jolivet , Pablo Antolin , Robin Bouclier

We present a novel convex formulation that weakly couples the Material Point Method (MPM) with rigid body dynamics through frictional contact, optimized for efficient GPU parallelization. Our approach features an asynchronous time-splitting…

Robotics · Computer Science 2025-07-08 Chang Yu , Wenxin Du , Zeshun Zong , Alejandro Castro , Chenfanfu Jiang , Xuchen Han

Ductile fracture of metallic materials typically involves the elastoplastic deformation and associated damaging process. The nonlocal lattice particle method (LPM) can be extended to model this complex behavior. Recently, a distortional…

Materials Science · Physics 2021-10-22 Changyu Meng , Yongming Liu

Shale, like many other sedimentary rocks, is typically heterogeneous, anisotropic, and is characterized by partial alignment of anisotropic clay minerals and naturally formed bedding planes. In this study, a micromechanical framework based…

Materials Science · Physics 2017-10-24 Weixin Li , Roozbeh Rezakhani , Congrui Jin , Xinwei Zhou , Gianluca Cusatis

The Lattice Boltzmann Method (LBM) is a computational technique of Computational Fluid Dynamics (CFD) that has gained popularity due to its high parallelism and ability to handle complex geometries with minimal effort. Although LBM…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-09-26 Luigi Crisci , Biagio Cosenza , Giorgio Amati , Matteo Turisini

It is proposed a dimensional Lattice Boltzmann Method (LBM) of wide application for simulating fluid flow and heat transfer problems. The proposed LBM consists in the numerical solution of the discrete lattice Boltzmann equation (LBE) using…

Fluid Dynamics · Physics 2024-05-14 Ivan Talão Martins , Pablo Fariñas Alvariño , Luben Cabezas-Gómez

Super-Droplet Method (SDM) is a probabilistic Monte-Carlo-type model of particle coagulation process, an alternative to the mean-field formulation of Smoluchowski. SDM as an algorithm has linear computational complexity with respect to the…

Computational Physics · Physics 2021-07-27 Piotr Bartman , Sylwester Arabas

A systematic study is carried out on a fully resolved fluid-particle model which couples the Lattice Boltzmann Method (LBM) and the Discrete Element Method (DEM) using an immersed moving boundary technique. Similar algorithms have been…

Computational Physics · Physics 2019-06-21 G. C. Yang , L. Jing , C. Y. Kwok , Y. D. Sobral