Related papers: $\pi$-PIC: a framework for modular particle-in-cel…
Developing particle-in-cell (PIC) methods using finite element basis sets, and without auxiliary divergence cleaning methods, was a long standing problem until recently. It was shown that if consistent spatial basis functions are used, one…
We present a hybrid quantum-classical electrostatic Particle-in-Cell (PIC) method, where the electrostatic field Poisson solver is implemented on a quantum computer simulator using a hybrid classical-quantum Neural Network (HNN) using…
Programmable photonic integrated circuits (PICs) are the foundation of on-chip optical technologies with the optical modulators being one of the main building blocks of such programmable PICs. However, most of the available modulators…
Optically linked solid-state quantum memories such as color centers in diamond are a promising platform for distributed quantum information processing and networking. Photonic integrated circuits (PICs) have emerged as a crucial enabling…
Particle-in-Cell (PIC) approach for modeling dense granular flows has gained popularity in recent years due to its time to solution efficiency. The methodology is useful for modeling large-scale systems with a relatively lower computational…
Developing complex biomolecular workflows is not always straightforward. It requires tedious developments to enable the interoperability between the different biomolecular simulation and analysis tools. Moreover, the need to execute the…
PySCF is a general-purpose electronic structure platform designed from the ground up to emphasize code simplicity, both to aid new method development, as well as for flexibility in computational workflow. The package provides a wide range…
Probabilistic integral circuits (PICs) have been recently introduced as probabilistic models enjoying the key ingredient behind expressive generative models: continuous latent variables (LVs). PICs are symbolic computational graphs defining…
Modeling inviscid compressible flows with shocks and vortex dominated dynamics remains challenging for particle grid methods due to moving discontinuities, cell crossing noise, and quadrature degradation under strong deformation. Building…
Progress in Prognostics and Health Management (PHM) is hindered by the lack of standardized and reusable evaluation practices across tasks, datasets, and application domains. Reported results are often difficult to reproduce and compare, as…
Space-charge effects play an important role in high intensity particle accelerators and were studied using a variety of macroparticle tracking models. In this paper, we propose a symplectic particle-in-cell (PIC) model and compare this…
Large-scale HPC simulations of plasma dynamics in fusion devices require efficient parallel I/O to avoid slowing down the simulation and to enable the post-processing of critical information. Such complex simulations lacking parallel I/O…
The particle-in-cell approach has proven effective at modeling neutron star and black hole magnetospheres from first principles, but global simulations are plagued with an unrealistically small separation between the scales where…
This work presents a new clustering algorithm, the GPIC, a Graphics Processing Unit (GPU) accelerated algorithm for Power Iteration Clustering (PIC). Our algorithm is based on the original PIC proposal, adapted to take advantage of the GPU…
Particle-in-cell (PIC) simulations are essential for studying kinetic plasma processes, but they often suffer from statistical noise, especially in plasmas with fast flows. We have also found that the typical central difference scheme used…
Atomic-level simulations are widely used to study biomolecules and their dynamics. A common goal in such studies is to compare simulations of a molecular system under several conditions -- for example, with various mutations or bound…
PHCpack is a large software package for solving systems of polynomial equations. The executable phc is menu driven and file oriented. This paper describes the development of phcpy, a Python interface to PHCpack. Instead of navigating…
Indefinite quadratic programs (QPs) are known to be very difficult to be solved to global optimality, so are linear programs with linear complementarity constraints. Treating the former as a subclass of the latter, this paper presents a…
Explicit structure-preserving geometric Particle-in-Cell (PIC) algorithm in curvilinear orthogonal coordinate systems is developed. The work reported represents a further development of the structure-preserving geometric PIC algorithm…
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,…