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Machine-learned interatomic potentials have revolutionized molecular dynamics simulations by providing quantum-mechanical accuracy at empirical-potential speeds. The graphics processing unit molecular dynamics (GPUMD) package, featuring the…

This paper presents RDCSim, an interactive simulator for reaction--diffusion chemistry (RDC) research, being developed as part of an ongoing project studying how humans interact with unconventional computing systems. While much research…

Emerging Technologies · Computer Science 2019-01-23 James Stovold

The progress made in accelerating simulations of fluid flow using GPUs, and the challenges that remain, are surveyed. The review first provides an introduction to GPU computing and programming, and discusses various considerations for…

Fluid Dynamics · Physics 2014-02-04 Kyle E Niemeyer , Chih-Jen Sung

Differentiable simulation of soft bodies is a foundation for system identification, trajectory optimization, and Real2Sim transfer. Yet, existing methods such as the differentiable Projective Dynamics (DiffPD) struggle when faced with…

Significance: Monte Carlo (MC) methods are the gold-standard for modeling light-tissue interactions due to their accuracy. Mesh-based MC (MMC) offers enhanced precision for complex tissue structures using tetrahedral mesh models. Despite…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-12-01 Shijie Yan , Douglas Dwyer , David R. Kaeli , Qianqian Fang

Many-body dissipative particle dynamics (MDPD) offers a significant speed-up in the simulation of various systems, including soft matter, in comparison with molecular dynamics (MD) simulations based on Lennard-Jones nteractions, which is…

Soft Condensed Matter · Physics 2025-06-09 Natalia Kramarz , Luís H. Carnevale , Panagiotis E. Theodorakis

Fast and realistic coupling of blood flow and vessel wall is of great importance to virtual surgery. In this paper, we propose a novel data-driven coupling method that formulates physics-based blood flow simulation as a regression problem,…

Graphics · Computer Science 2019-01-25 Xuejie Mai , Zhiyong Yuan , Qianqian Tong , Tianchen Yuan , Jianhui Zhao

Computational fluid dynamics (CFD) is increasingly used to study blood flows in patient-specific arteries for understanding certain cardiovascular diseases. The techniques work quite well for relatively simple problems, but need…

Computational Physics · Physics 2018-10-11 Fande Kong , Vitaly Kheyfets , Ender Finol , Xiao-Chuan Cai

In this paper a new scalable hydrodynamic code GPUPEGAS (GPU-accelerated PErformance Gas Astrophysic Simulation) for simulation of interacting galaxies is proposed. The code is based on combination of Godunov method as well as on the…

Instrumentation and Methods for Astrophysics · Physics 2013-11-06 Kulikov Igor

Particle tracking simulations with space charge effects are very important for high-intensity proton rings. Since they include not only Hamilton mechanics of a single particle but constructing charge densities and solving Poisson equations…

Accelerator Physics · Physics 2021-09-01 Yoshinori Kurimoto

The realized stochastic volatility (RSV) model that utilizes the realized volatility as additional information has been proposed to infer volatility of financial time series. We consider the Bayesian inference of the RSV model by the Hybrid…

Computational Finance · Quantitative Finance 2016-11-28 Tetsuya Takaishi

Cardiovascular disease affects millions of people worldwide and its social and economic cost clearly motivates scientific research. Computer simulation can lead to a better understanding of cardiac physiology, and for pathology presents…

Biological Physics · Physics 2023-02-27 Toby Simpson

The numerical integration of stochastic trajectories to estimate the time to pass a threshold is an interesting physical quantity, for instance in Josephson junctions and atomic force microscopy, where the full trajectory is not accessible.…

Computational Physics · Physics 2018-02-15 Vincenzo Pierro , Luigi Troiano , Elena Mejuto , Giovannni Filatrella

We present teraflop-scale calculations of biomolecular electrostatics enabled by the combination of algorithmic and hardware acceleration. The algorithmic acceleration is achieved with the fast multipole method (FMM) in conjunction with a…

Computational Engineering, Finance, and Science · Computer Science 2011-09-21 Rio Yokota , Jaydeep P. Bardhan , Matthew G. Knepley , L. A. Barba , Tsuyoshi Hamada

We demonstrate a GPU-accelerated nested sampling framework for efficient high-dimensional Bayesian inference in cosmology. Using JAX-based neural emulators and likelihoods for cosmic microwave background and cosmic shear analyses, our…

Cosmology and Nongalactic Astrophysics · Physics 2025-10-08 Toby Lovick , David Yallup , Davide Piras , Alessio Spurio Mancini , Will Handley

Fast 3D data analysis and steering of a tomographic experiment by changing environmental conditions or acquisition parameters require fast, close to real-time, 3D reconstruction of large data volumes. Here we present a performance-optimized…

Data Analysis, Statistics and Probability · Physics 2022-11-10 Viktor Nikitin

Diffuse Correlation Spectroscopy (DCS) allows the label-free investigation of microvascular dynamics deep within living tissue. However, common implementations of DCS are currently limited to measurement depths of $\sim 1-1.5cm$, which can…

Since the discovery of RRATs, interest in single pulse radio searches has increased dramatically. Due to the large data volumes generated by these searches, especially in planned surveys for future radio telescopes, such searches have to be…

Instrumentation and Methods for Astrophysics · Physics 2014-02-03 Alessio Magro

Computational modeling and simulation are presented on the motion of red blood cells behind a moving interface in a capillary. The methodology is based on an immersed boundary method and the skeleton structure of the red blood cell (RBC)…

Fluid Dynamics · Physics 2013-04-16 Shihai Zhao , Tsorng-Whay Pan

We present SymPhas 2.0, a major update of the compile-time symbolic algebra simulation framework SymPhas for phase-field and reaction-diffusion models. This release introduces significant expansions and enhancements that enable the…

Computational Physics · Physics 2025-11-14 Steven A. Silber , Mikko Karttunen