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We discuss the advantages of parallelization by multithreading on graphics processing units (GPUs) for parallel tempering Monte Carlo computer simulations of an exemplified bead-spring model for homopolymers. Since the sampling of a large…

Recent and future generation observatories will enable the study of variable astronomical phenomena through their time-domain capabilities. High temporal fidelity will allow for unprecedented investigations into the nature of variable…

Polymerization of C60 molecular crystal under high pressure and high temperature is simulated by using linear scaling tight binding molecular dynamics (TBMD) with Graphic Processing Unit (GPU) as a computational accelerator for…

The gravitational many-body problem is a problem concerning the movement of bodies, which are interacting through gravity. However, solving the gravitational many-body problem with a CPU takes a lot of time due to O(N^2) computational…

Quantum Computational Superiority boasts rapid computation and high energy efficiency. Despite recent advances in classical algorithms aimed at refuting the milestone claim of Google's sycamore, challenges remain in generating uncorrelated…

As a first approximation beyond linearity, the nonlinear Schr\"odinger equation (NLSE) reliably describes a broad class of physical systems. Though numerical solutions of this model are well-established, these methods can be computationally…

The expedient design of precision components in aerospace and other high-tech industries requires simulations of physical phenomena often described by partial differential equations (PDEs) without exact solutions. Modern design problems…

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…

The vast amount of processing power and memory bandwidth provided by modern Graphics Processing Units (GPUs) make them a platform for data-intensive applications. The database community identified GPUs as effective co-processors for data…

Simulations of physical phenomena are essential to the expedient design of precision components in aerospace and other high-tech industries. These phenomena are often described by mathematical models involving partial differential equations…

We introduce FastGraph, a novel GPU-optimized k-nearest neighbor algorithm specifically designed to accelerate graph construction in low-dimensional spaces (2-10 dimensions), critical for high-performance graph neural networks. Our method…

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…

Massively multicore processors, such as Graphics Processing Units (GPUs), provide, at a comparable price, a one order of magnitude higher peak performance than traditional CPUs. This drop in the cost of computation, as any…

Recent decades have witnessed the tremendous development of network science, which indeed brings a new and insightful language to model real systems of different domains. Betweenness, a widely employed centrality in network science, is a…

The ability of Gaussian processes (GPs) to predict the behavior of dynamical systems as a more sample-efficient alternative to parametric models seems promising for real-world robotics research. However, the computational complexity of GPs…

Efficient simulation of quantum circuits has become indispensable with the rapid development of quantum hardware. The primary simulation methods are based on state vectors and tensor networks. As the number of qubits and quantum gates grows…

The goal of this work is to parallelize the multistep scheme for the numerical approximation of the backward stochastic differential equations (BSDEs) in order to achieve both, a high accuracy and a reduction of the computation time as…

With their widespread availability, FPGA-based accelerators cards have become an alternative to GPUs and CPUs to accelerate computing in applications with certain requirements (like energy efficiency) or properties (like fixed-point…

This paper presents a limited-area atmospheric simulation of a tropical cyclone accelerated using GPUs. The OpenACC directive-based programming model is used to port the atmospheric model to the GPU. The GPU implementation of the main…

We propose a CPU-GPU heterogeneous computing method for solving time-evolution partial differential equation problems many times with guaranteed accuracy, in short time-to-solution and low energy-to-solution. On a single-GH200 node, the…