相关论文: Next Generation Computational Tools for the Modeli…
Tuning particle accelerators is a challenging and time-consuming task that can be automated and carried out efficiently using suitable optimization algorithms, such as model-based Bayesian optimization techniques. One of the major…
As the hardware industry moves towards using specialized heterogeneous many-cores to avoid the effects of the power wall, software developers are finding it hard to deal with the complexity of these systems. This article shares our…
Computer modeling is essential to research on Advanced Accelerator Concepts (AAC), as well as to their design and operation. This paper summarizes the current status and future needs of AAC systems and reports on several key aspects of (i)…
Programming modern high-performance computing systems is challenging due to the need to efficiently program GPUs and accelerators and to handle data movement between nodes. The C++ language has been continuously enhanced in recent years…
Molecular simulations are an important tool for research in physics, chemistry, and biology. The capabilities of simulations can be greatly expanded by providing access to advanced sampling methods and techniques that permit calculation of…
Modeling plasma accelerators is a computationally challenging task and the quasi-static particle-in-cell algorithm is a method of choice in a wide range of situations. In this work, we present the first performance-portable, quasi-static,…
The rapid growth of Machine Learning (ML) has increased demand for DNN hardware accelerators, but their embodied carbon footprint poses significant environmental challenges. This paper leverages approximate computing to design sustainable…
With the continued growth in field-programmable gate array (FPGA) capacity and their incorporation into new environments such as datacenters, we have witnessed the introduction of a new class of reconfigurable acceleration devices (RADs)…
The increasing size and complexity of machine learning (ML) models have driven the growing need for custom hardware accelerators capable of efficiently supporting ML workloads. However, the design of such accelerators remains a…
Ongoing investigations to introduce software techniques suitable to support new experimental requirements for multi-scale simulation are discussed.
Splotch is a rendering algorithm for exploration and visual discovery in particle-based datasets coming from astronomical observations or numerical simulations. The strengths of the approach are production of high quality imagery and…
The two main thrusts of computational science are more accurate predictions and faster calculations; to this end, the zeitgeist in molecular dynamics (MD) simulations is pursuing machine learned and data driven interatomic models, e.g.…
Quantum-accurate computer simulations play a central role in understanding phase-change materials (PCMs) for advanced memory technologies. However, direct quantum-mechanical simulations are necessarily limited to simplified models,…
This study addresses the challenge of simulating realistic particle systems by proposing a novel particle decomposition scheme that improves the parallel performance of surface resolved particle simulations. Realistic particle systems often…
Particle-in-cell codes are the most widely used simulation tools for kinetic studies of ultra-intense laser-plasma interactions. Using the motion of a single electron in a plane electromagnetic wave as a benchmark problem, we show…
An application for high-performance computing (HPC) is shown that is relevant in the field of battery development. Simulations of electrolyte wetting and flow are conducted using pore network models (PNM) and the lattice Boltzmann method…
The high-performance computing (HPC) community has recently seen a substantial diversification of hardware platforms and their associated programming models. From traditional multicore processors to highly specialized accelerators, vendors…
The challenges involved in executing neural networks (NNs) at the edge include providing diversity, flexibility, and sustainability. That implies, for instance, supporting evolving applications and algorithms energy-efficiently. Using…
PLUMED is an open-source software package that is widely used for analyzing and enhancing molecular dynamics simulations that works in conjunction with most available molecular dynamics softwares. While the computational cost of PLUMED…
Computational models are an essential tool for the design, characterization, and discovery of novel materials. Hard computational tasks in materials science stretch the limits of existing high-performance supercomputing centers, consuming…