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We investigate the range of applicability of a model for the real-space power spectrum based on N-body dynamics and a (quadratic) Lagrangian bias expansion. This combination uses the highly accurate particle displacements that can be…
The integration of the equations of motion of N interacting particles, represents a classical problem in many branches of physics and chemistry. The direct N-body problem is at the heart of simulations studying Coulomb Crystals. We present…
In this short review we present the developments over the last 5 decades that have led to the use of Graphics Processing Units (GPUs) for astrophysical simulations. Since the introduction of NVIDIA's Compute Unified Device Architecture…
The escalating adoption of diffusion models for applications such as image generation demands efficient parallel inference techniques to manage their substantial computational cost. However, existing diffusion parallelism inference schemes…
Nonlinear time-history evolution problems employing high-fidelity physical models are essential in numerous scientific domains. However, these problems face a critical dual bottleneck: the immense computational cost of time-stepping and the…
Symmetry is fundamental in the description and simulation of quantum systems. Leveraging symmetries in classical simulations of many-body quantum systems can results in significant overhead due to the exponentially growing size of some…
For simulations that deal only with dark matter or stellar systems, the conventional N-body technique is fast, memory efficient, and relatively simple to implement. However when including the effects of gas physics, mesh codes are at a…
The tree method is a widely implemented algorithm for collisionless $N$-body simulations in astrophysics well suited for GPU(s). Adopting hierarchical time stepping can accelerate $N$-body simulations; however, it is infrequently…
We present a technique designed for parallelizing large rigid body simulations, capable of exploiting multiple CPU cores within a computer and across a network. Our approach can be applied to simulate both unilateral and bilateral…
Simulating physical systems is a core component of scientific computing, encompassing a wide range of physical domains and applications. Recently, there has been a surge in data-driven methods to complement traditional numerical simulations…
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,…
Fast N-body PM simulations with a small number of time steps such as FastPM or COLA have been remarkably successful in modeling the galaxy statistics, but their lack of small scale force resolution and long time steps cannot give accurate…
Although originally developed primarily for artificial intelligence workloads, RISC-V-based accelerators are also emerging as attractive platforms for high-performance scientific computing. In this work, we present our approach to…
We present performance measurements of direct gravitational N -body simulation on the grid, with and without specialized (GRAPE-6) hardware. Our inter-continental virtual organization consists of three sites, one in Tokyo, one in…
The athermal quasistatic deformation method provides an elegant solution to overcome the limitation of short time spans in molecular simulations. It provides overdamped conditions, allowing for the extraction of purely structural responses…
Parallel multiphysics simulations often suffer from load imbalances originating from the applied coupling of algorithms with spatially and temporally varying workloads. It is thus desirable to minimize these imbalances to reduce the time to…
Modeling data sharing in GPU programs is a challenging task because of the massive parallelism and complex data sharing patterns provided by GPU architectures. Better GPU caching efficiency can be achieved through careful task scheduling…
A heterogeneous CPU-GPU node is getting popular in HPC clusters. We need to rethink algorithms and optimization techniques for such system depending on the relative performance of CPU vs. GPU. In this paper, we report a performance…
We present a new particle-based (discrete element) numerical method for the simulation of granular dynamics, with application to motions of particles on small solar system body and planetary surfaces. The method employs the parallel N-body…
Multiple time-scale algorithms exploit the natural separation of time-scales in chemical systems to greatly accelerate the efficiency of molecular dynamics simulations. Although the utility of these methods in systems where the interactions…