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Furthering our understanding of many of today's interesting problems in plasma physics---including plasma based acceleration and magnetic reconnection with pair production due to quantum electrodynamic effects---requires large-scale kinetic…

We study parallel particle-in-cell (PIC) methods for low-temperature plasmas (LTPs), which discretize kinetic formulations that capture the time evolution of the probability density function of particles as a function of position and…

Particle-in-cell (PIC) simulations with Monte-Carlo collisions are used in plasma science to explore a variety of kinetic effects. One major problem is the long run-time of such simulations. Even on modern computer systems, PIC codes take a…

An increasingly large number of HPC systems rely on heterogeneous architectures combining traditional multi-core CPUs with power efficient accelerators. Designing efficient applications for these systems has been troublesome in the past as…

Performance has always been a hot topic in computing. However, the viable ways to achieve it have taken many forms in the different moments of computing history. Today, technological limits have pushed the adoption of increasingly parallel…

As an important goal of high-performance computing, the concept of performance portability has been around for many years. As the failure of Moore's Law, it is no longer feasible to improve computer performance by simply increasing the…

Dimensionality reduction represents a critical preprocessing step in order to increase the efficiency and the performance of many hyperspectral imaging algorithms. However, dimensionality reduction algorithms, such as the Principal…

While the particle-in-cell (PIC) method is quite mature, verification and validation of both newly developed methods and individual codes has largely focused on an idiosyncratic choice of a few test cases. Many of these test cases involve…

We describe AthenaK: a new implementation of the Athena++ block-based adaptive mesh refinement (AMR) framework using the Kokkos programming model. Finite volume methods for Newtonian, special relativistic (SR), and general relativistic (GR)…

The emergence of P4, a domain specific language, coupled to PISA, a domain specific architecture, is revolutionizing the networking field. P4 allows to describe how packets are processed by a programmable data plane, spanning ASICs and…

The use of explicit particle-in-cell (PIC) method for relativistic plasma simulations is restricted by numerical heating and instabilities that may significantly constrain the choice of time and space steps. To partially eliminate these…

In this paper, we present a novel research software, called PEGASE, suitable for the design, validation and deployment of advanced control strategies for complex multi-domain energy systems. PEGASE especially features a highly efficient…

Using large-scale multicore systems to get the maximum performance and energy efficiency with manageable programmability is a major challenge. The partitioned global address space (PGAS) programming model enhances programmability by…

In recent years the computational capacity of single Field Programmable Gate Arrays (FPGA) devices as well as their versatility has increased significantly. Adding to that the High Level Synthesis frameworks allowing to program such…

We present the extension of the Tinker-HP package (Lagard\`ere et al., Chem. Sci., 2018,9, 956-972) to the use of Graphics Processing Unit (GPU) cards to accelerate molecular dynamics simulations using polarizable many-body force fields.…

The Liquid Argon Time Projection Chamber (LArTPC) technology is widely used in high energy physics experiments, including the upcoming Deep Underground Neutrino Experiment (DUNE). Accurately simulating LArTPC detector responses is essential…

This paper presents FLASH 1.0, a C++-based software framework for rapid parallel deployment and enhancing host code portability in heterogeneous computing. FLASH takes a novel approach in describing kernels and dynamically dispatching them…

Important computational physics problems are often large-scale in nature, and it is highly desirable to have robust and high performing computational frameworks that can quickly address these problems. However, it is no trivial task to…

Current climate change has posed a grand challenge in the field of numerical modeling due to its complex, multiscale dynamics. In hydrological modeling, the increasing demand for high-resolution, real-time simulations has led to the…

The rapid development in computing technology has paved the way for directive-based programming models towards a principal role in maintaining software portability of performance-critical applications. Efforts on such models involve a least…