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Coarse-grained modeling and efficient computer simulations are critical to the study of complex molecular processes with many degrees of freedom and multiple spatiotemporal scales. Variational implicit-solvent model (VISM) for biomolecular…

Chemical Physics · Physics 2022-10-26 Shuang Liu , Zirui Zhang , Li-Tien Cheng , Bo Li

An electrostatic, implicit particle-in-cell (PIC) model for collisionless, fully magnetized, paraxial plasma expansions in a magnetic nozzle is introduced with exact charge, energy, and magnetic moment conservation properties. The approach…

Plasma Physics · Physics 2024-05-14 Pedro Jimenez , Luis Chacon , Mario Merino

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…

Computational Engineering, Finance, and Science · Computer Science 2025-08-12 James Almgren-Bell , Nader Al Awar , Dilip S Geethakrishnan , Milos Gligoric , George Biros

Computational fluid dynamics and fluid-structure interaction simulations involving moving and deforming bodies is extremely hard. In this work, we present a graphical processing unit (GPU) optimized implementation of the sharp-interface…

Computational Physics · Physics 2026-05-07 Sushrut Kumar , Joshua Romero , Jung-Hee Seo , Massimiliano Fatica , Rajat Mittal

For decades, the Vlasov-Darwin model has been recognized to be attractive for particle-in-cell (PIC) kinetic plasma simulations in non-radiative electromagnetic regimes, to avoid radiative noise issues and gain computational efficiency.…

Computational Physics · Physics 2016-05-04 Guangye Chen , Luis Chacon

We compare different Poisson solvers within the context of an electrostatic Vlasov-Poisson system. These schemes are implemented as part of the IPPL (Independent Parallel Particle Layer) library (Frey et al., 2024), which provides…

Computational Engineering, Finance, and Science · Computer Science 2026-05-08 Sonali Mayani , Paul Fischill , Sriramkrishnan Muralikrishnan , Andreas Adelmann

We present a novel parallel algorithm for cloth simulation that exploits multiple GPUs for fast computation and the handling of very high resolution meshes. To accelerate implicit integration, we describe new parallel algorithms for sparse…

Graphics · Computer Science 2020-08-05 Cheng Li , Min Tang , Ruofeng Tong , Ming Cai , Jieyi Zhao , Dinesh Manocha

We discuss the fundamentals of the implicit moment method for Particle In Cell (PIC) simulation as presently implemented in the CELESTE3D code. We present the method in its fully electromagnetic and fully kinetic version. The application of…

Computational Physics · Physics 2008-01-29 Giovanni Lapenta

Particle-in-Cell (PIC) Monte Carlo (MC) simulations are central to plasma physics but face increasing challenges on heterogeneous HPC systems due to excessive data movement, synchronization overheads, and inefficient utilization of multiple…

We present a novel, GPU-optimized algorithm for particle-mesh interactions in grid-based hydrodynamics simulations, designed for massively parallel architectures. This approach overcomes the inefficiency of particle neighbour searches or…

Instrumentation and Methods for Astrophysics · Physics 2026-03-23 Chong-Chong He , Benjamin D. Wibking , Aditi Vijayan , Mark R. Krumholz , Pak Shing Li

This paper proposes a combination of a hybrid CPU--GPU and a pure GPU software implementation of a direct algorithm for solving shifted linear systems $(A - \sigma I)X = B$ with large number of complex shifts $\sigma$ and multiple…

Mathematical Software · Computer Science 2017-08-24 Nela Bosner , Zvonimir Bujanović , Zlatko Drmač

We present an efficient implementation for running three-dimensional numerical simulations of fluid-structure interaction problems on single GPUs, based on Nvidia CUDA through Numba and Python. The incompressible flow around moving bodies…

Fluid Dynamics · Physics 2024-12-05 M. Guerrero-Hurtado , J. M. Catalán , M. Moriche , A. Gonzalo , O. Flores

We present an efficient and accurate energy-conserving implicit particle-in-cell~(PIC) algorithm for the electrostatic Vlasov system, with particular emphasis on its high robustness for simulating complex plasma systems with multiple…

Computational Physics · Physics 2022-11-21 Zhuoning Li , Zhenli Xu , Zhiguo Yang

Particle-in-Cell (PIC) simulations spend most of their execution time on particle--grid interactions, where fine-grained atomic updates become a major bottleneck on traditional many-core CPUs. Recent CPU architectures integrate specialized…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-01-14 Yizhuo Rao , Xingjian Cui , Jiabin Xie , Shangzhi Pang , Guangnan Feng , Jinhui Wei , Zhiguang Chen , Yutong Lu

Much of the current focus in high performance computing (HPC) for computational fluid dynamics (CFD) deals with grid based methods. However, parallel implementations for new meshfree particle methods such as Smoothed Particle Hydrodynamics…

Performance · Computer Science 2011-11-21 Jose M. Domínguez , Alejandro J. C. Crespo , Moncho Gómez-Gesteira

Particle collisions are the primary mechanism of inter-particle momentum and energy exchange for dense particle-laden flow. Accurate approximation of this collision operator in four-way coupled Euler-Lagrange approaches remains challenging…

Computational Physics · Physics 2025-01-10 Anna Schwarz , Patrick Kopper , Emilian De Staercke , Andrea Beck

Implicit methods and GPU parallelization are two distinct yet powerful strategies for accelerating high-order CFD algorithms. However, few studies have successfully integrated both approaches within high-speed flow solvers. The core…

Numerical Analysis · Mathematics 2025-09-09 Hongyu Liu , Xing Ji , Yuan Fu , Kun Xu

We investigate the potential of Graphics Processing Units (GPUs) to solve large-scale nonlinear programs with a dynamic structure. Using ExaModels, a GPU-accelerated automatic differentiation tool, and the interior-point solver MadNLP, we…

Optimization and Control · Mathematics 2024-09-13 François Pacaud , Sungho Shin

This paper concerns development of a high-performance implementation of the Particle-in-Cell method for plasma simulation on Intel Xeon Phi coprocessors. We discuss suitability of the method for Xeon Phi architecture and present our…

Computational Physics · Physics 2016-08-05 I. A. Surmin , S. I. Bastrakov , E. S. Efimenko , A. A. Gonoskov , A. V. Korzhimanov , I. B. Meyerov

This work presents a GPU-accelerated solver for the unit commitment (UC) problem in large-scale power grids. The solver uses the Primal-Dual Hybrid Gradient (PDHG) algorithm to efficiently solve the relaxed linear subproblem, achieving…

Optimization and Control · Mathematics 2025-12-09 Hussein Sharadga , Javad Mohammadi