Related papers: GPGPU for orbital function evaluation with a new u…
The IEEE 754-2008 standard recommends the correct rounding of some elementary functions. This requires to solve the Table Maker's Dilemma which implies a huge amount of CPU computation time. We consider in this paper accelerating such…
This paper proposes a versatile high-performance execution model, inspired by systolic arrays, for memory-bound regular kernels running on CUDA-enabled GPUs. We formulate a systolic model that shifts partial sums by CUDA warp primitives for…
Purpose: Very fast Monte Carlo (MC) simulations of proton transport have been implemented recently on GPUs. However, these usually use simplified models for non-elastic (NE) proton-nucleus interactions. Our primary goal is to build a…
In recent years, the Graphics Processing Unit (GPU) has emerged as a low-cost alternative for high performance computing, enabling impressive speed-ups for a range of scientific computing applications. Early adopters in astronomy are…
Lattice spin models are useful for studying critical phenomena and allow the extraction of equilibrium and dynamical properties. Simulations of such systems are usually based on Monte Carlo (MC) techniques, and the main difficulty is often…
Modern parallel computing devices, such as the graphics processing unit (GPU), have gained significant traction in scientific and statistical computing. They are particularly well-suited to data-parallel algorithms such as the particle…
Recent hardware acceleration advances have enabled powerful specialized accelerators for finite element computations, spiking neural network inference, and sparse tensor operations. However, existing approaches face fundamental limitations:…
Accurate direct $N$-body simulations help to obtain detailed information about the dynamical evolution of star clusters. They also enable comparisons with analytical models and Fokker-Planck or Monte-Carlo methods. NBODY6 is a well-known…
Motivated by the recently proposed parallel orbital-updating approach in real space method, we propose a parallel orbital-updating based plane-wave basis method for electronic structure calculations, for solving the corresponding eigenvalue…
In this work, we test a recently developed method to enhance classical auxiliary-field quantum Monte Carlo (AFQMC) calculations with quantum computers against examples from chemistry and material science, representatives of classes of…
[Abridged] We present the results of a highly parallel Kepler equation solver using the Graphics Processing Unit (GPU) on a commercial nVidia GeForce 280GTX and the "Compute Unified Device Architecture" programming environment. We apply…
Graphics Processing Units (GPUs) have become an integral part of High-Performance Computing to achieve an Exascale performance. The main goal of application developers of GPU is to tune their code extensively to obtain optimal performance,…
The exponential growth of floating point power in graphics processing units (GPUs), together with their low cost, has given rise to an attractive platform upon which to deploy lattice QCD calculations. GPUs are essentially many (O(100))…
Ultra-high dose rate irradiations to water indicate an enhancement of radical-radical reactions, which could potentially correlate with the Flash effect. The purpose of this work was to extend gMicroMC to support multiple pulse simulations…
B-spline modeling is fundamental to CAD systems, and its evaluation and manipulation algorithms currently in use were developed decades ago, specifically for CPU architectures. While remaining effective for many applications, these…
Evaluating multi-center molecular integrals with Cartesian Gaussian-type basis sets has been a long-standing bottleneck in electronic structure theory calculation for solids and molecules. We have developed a vector-coupling and…
We introduce a GPU-accelerated Monte Carlo framework for nonconvex, free-final-time trajectory optimization problems. This framework makes use of the prox-linear method, which belongs to the larger family of sequential convex programming…
Computer simulation with Monte Carlo is an important tool to investigate the function and equilibrium properties of many systems with biological and soft matter materials solvable in solvents. The appropriate treatment of long-range…
Modern graphics processing units (GPUs) provide impressive computing resources, which can be accessed conveniently through the CUDA programming interface. We describe how GPUs can be used to considerably speed up molecular dynamics (MD)…
Classical simulation of quantum circuits remains indispensable for algorithm development, hardware validation, and error analysis in the noisy intermediate-scale quantum (NISQ) era. However, state-vector simulation faces exponential memory…