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Particle-In-Cell (PIC) codes are broadly applied to the kinetic simulation of plasmas, from laser-matter interaction to astrophysics. Their heavy simulation cost can be mitigated by using the Single Instruction Multiple Data (SIMD)…
Efficient optimization of quantum systems is a necessity for reaching fault tolerant thresholds. A standard tool for optimizing simulated quantum dynamics is the gradient-based \textsc{grape} algorithm, which has been successfully applied…
We present Shamrock, a performance portable framework developed in C++17 with the SYCL programming standard, tailored for numerical astrophysics on Exascale architectures. The core of Shamrock is an accelerated parallel tree with negligible…
Large-scale plasma simulations are critical for designing and developing next-generation fusion energy devices and modeling industrial plasmas. BIT1 is a massively parallel Particle-in-Cell code designed for specifically studying plasma…
Hybrid computational architectures based on the joint power of Central Processing Units and Graphic Processing Units (GPUs) are becoming popular and powerful hardware tools for a wide range of simulations in biology, chemistry, engineering,…
We report on scaling and timing tests of the SIESTA electronic structure code for ab initio molecular dynamics simulations using density-functional theory. The tests are performed on six large-scale supercomputers belonging to the PRACE…
Memristive Processing In-Memory (PIM) is one of the promising techniques for overcoming the Von-Neumann bottleneck. Reduction of data transfer between processor and memory and data processing by memristors in data-intensive applications…
We present a GPU-accelerated numerical integrator specifically optimized for stability calculations of small bodies in planetary systems. Specifically, the integrator is designed for cases when large numbers of test particles (tens or…
Numerical heating in particle-in-cell (PIC) codes currently precludes the accurate simulation of cold, relativistic plasma over long periods, severely limiting their applications in astrophysical environments. We present a spatially…
Solving partial differential equations (PDEs) is a required step in the simulation of natural and engineering systems. The associated computational costs significantly increase when exploring various scenarios, such as changes in initial or…
The kd-tree is a fundamental tool in computer science. Among others, an application of the kd-tree search (oct-tree method) to fast evaluation of particle interactions and neighbor search is highly important since computational complexity…
Treemaps have been widely applied to the visualization of hierarchical data. A treemap takes a weighted tree and visualizes its leaves in a nested planar geometric shape, with sub-regions partitioned such that each sub-region has an area…
The code we describe (FLY) is a newly written code (using the tree N-body method), for three-dimensional self-gravitating collisionless systems evolution. FLY is a fully parallel code based on the tree Barnes-Hut algorithm and periodical…
We have invented a new algorithm to use with self-gravitating SPH Star Formation codes. The new method is designed to enable SPH simulations to self-regulate their numerical resolution, i.e. the number of SPH particles; the latter is…
The TREE method has been widely used for long-range interaction {\it N}-body problems. We have developed a parallel TREE code for two-component classical plasmas with open boundary conditions and highly non-uniform charge distributions. The…
We examine the problem of optimizing classification tree evaluation for on-line and real-time applications by using GPUs. Looking at trees with continuous attributes often used in image segmentation, we first put the existing algorithms for…
Leveraging spatial sparsity has become a popular approach to accelerate 3D computer graphics applications. Spatially sparse data structures and efficient sparse kernels (such as parallel stencil operations on active voxels), are key to…
We present the results of gravitational direct $N$-body simulations using the Graphics Processing Unit (GPU) on a commercial NVIDIA GeForce 8800GTX designed for gaming computers. The force evaluation of the $N$-body problem is implemented…
Simulations of galaxy formation follow the gravitational and hydrodynamical interactions between gas, stars and dark matter through cosmic time. The huge dynamic range of such calculations severely limits strong scaling behaviour of the…
A method of adapting smoothed particle hydrodynamics (SPH) with periodic boundary conditions for use with the special purpose device GRAPE is presented. GRAPE (GRAvity PipE) solves the Poisson and force equations for an N-body system by…