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HOOMD-blue is a particle simulation engine designed for nano- and colloidal-scale molecular dynamics and hard particle Monte Carlo simulations. It has been actively developed since March 2007 and available open source since August 2008.…

Computational Physics · Physics 2019-10-21 Joshua A. Anderson , Jens Glaser , Sharon C. Glotzer

Simulating fluid-granular flows is crucial for understanding natural disasters, industrial processes, and visually realistic phenomena in computer graphics. These systems are challenging to simulate because of the strong nonlinear coupling…

Graphics · Computer Science 2026-03-17 Xingqiao Li , Kui Wu , Haozhe Su , Tianhong Gao , Mengyu Chu , Chenfanfu Jiang , Wei Li , Baoquan Chen

This research explores the development and application of the High-Order Dynamic Integration Method for solving integro-differential equations, with a specific focus on turbulent fluid dynamics. Traditional numerical methods, such as the…

We develop a Python-based open-source package to analyze the results stemming from ab initio molecular-dynamics simulations of fluids. The package is best suited for applications on natural systems, like silicate and oxide melts,…

The solutions of a system of polynomials in several variables are often needed, e.g.: in the design of mechanical systems, and in phase-space analyses of nonlinear biological dynamics. Reliable, accurate, and comprehensive numerical…

Mathematical Software · Computer Science 2019-07-02 Jasmine Otto , Angus Forbes , Jan Verschelde

PyFR is an open-source cross-platform computational fluid dynamics framework based on the high-order Flux Reconstruction approach, specifically designed for undertaking high-accuracy scale-resolving simulations in the vicinity of complex…

Hybrid-VPIC is an extension of the open-source high-performance particle-in-cell (PIC) code VPIC incorporating hybrid kinetic ion/fluid electron solvers. This paper describes the models that are available in the code and gives an overview…

Plasma Physics · Physics 2023-06-14 Ari Le , Adam Stanier , Lin Yin , Blake Wetherton , Brett Keenan , Brian Albright

We present MARUT, a scalable multi-GPU computational fluid dynamics (CFD) framework designed for high-fidelity simulations of compressible flows spanning subsonic to hypersonic regimes, including chemically reacting nonequilibrium flows…

Computational Physics · Physics 2026-05-29 Trishit Mondal , Ameya D. Jagtap

Recent years have seen many successful applications of machine learning (ML) to facilitate fluid dynamic computations. As simulations grow, generating new training datasets for traditional offline learning creates I/O and storage…

Remarkable progress has been made in automated problem solving through societies of agents based on large language models (LLMs). Computational fluid dynamics (CFD), as a complex problem, presents unique challenges in automated simulations…

Artificial Intelligence · Computer Science 2024-08-08 Yuxuan Chen , Xu Zhu , Hua Zhou , Zhuyin Ren

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…

In this work, we present a new web based HPC-cloud platform for automatic virtual towing tank analysis. It is well known that the design project of a new hull requires a continuous integration of shape hypothesis and hydrodynamics…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-10-24 Raffaele Ponzini , Francesco Salvadore

The Front-Tracking Method (FTM) is a promising approach for numerical solution of multiphase flows, considering a trade-off between accuracy and computational cost. The existing open-source open-access software for FTM is scarce, due to…

Fluid Dynamics · Physics 2026-02-25 Ehsan Amani

The design of microfluidic devices is a cumbersome and tedious process that can be significantly improved by simulation. Methods based on Computational Fluid Dynamics (CFD) are considered state-of-the-art, but require extensive compute time…

Computational Engineering, Finance, and Science · Computer Science 2024-01-17 Michel Takken , Robert Wille

Sustainable sanitation and resource recovery technologies are needed to address rapid environmental and socioeconomic changes. Research prioritization is critical to expedite the development and deployment of such technologies across their…

The development of fluid-structure interaction (FSI) software involves trade-offs between ease of use, generality, performance, and cost. Typically there are large learning curves when using low-level software to model the interaction of an…

Fluid Dynamics · Physics 2017-04-24 Nicholas A. Battista , W. Christopher Strickland , Laura A. Miller

Large-scale distributed computing infrastructures such as the Worldwide LHC Computing Grid (WLCG) require comprehensive simulation tools for evaluating performance, testing new algorithms, and optimizing resource allocation strategies.…

Numerical simulations are ubiquitous in mathematics and computational science. Several industrial and clinical applications entail modeling complex multiphysics systems that evolve over a variety of spatial and temporal scales. This study…

Mathematical Software · Computer Science 2022-11-14 Pasquale Claudio Africa

Differentiable programming has emerged as a structural prerequisite for gradient-based inverse problems and end-to-end hybrid physics--machine learning in computational fluid dynamics. However, existing differentiable CFD platforms are…

Mathematical Software · Computer Science 2026-03-18 Pan Du , Yongqi Li , Mingqi Xu , Jian-Xun Wang

FESTIM is an open-source finite element framework for modelling the transport of hydrogen isotopes in materials. It provides a flexible and extensible tool for simulating diffusion, trapping, surface interactions, and other processes that…