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Recent advances in random-walk particle-tracking have enabled direct simulation of mixing and reactions on particles by allowing the particles to interact with each other using a multi-point mass transfer scheme. The mass transfer scheme…

Computational Physics · Physics 2019-04-22 Nicholas B. Engdahl , Michael J. Schmidt , David A. Benson

Accurate simulations of various physical processes on digital computers requires huge computing performance, therefore accelerating these scientific and engineering applications has a great importance. Density of programmable logic devices…

Performance · Computer Science 2014-08-26 Zoltan Nagy , Csaba Nemes , Antal Hiba , Arpad Csik , Andras Kiss , Miklos Ruszinko , Peter Szolgay

Stochastic processes play a fundamental role in physics, mathematics, engineering and finance. One potential application of quantum computation is to better approximate properties of stochastic processes. For example, quantum algorithms for…

Quantum Physics · Physics 2023-03-14 Adam Bouland , Aditi Dandapani , Anupam Prakash

Atomistic simulations are essential tools in chemistry and materials science, accelerating the discovery of novel catalysts, energy storage materials, and pharmaceuticals. However, running these simulations remains challenging due to the…

Chemical Physics · Physics 2025-06-11 Thang D. Pham , Aditya Tanikanti , Murat Keçeli

We describe different optimization techniques to perform the assembly of finite element matrices in Matlab and Octave, from the standard approach to recent vectorized ones, without any low level language used. We finally obtain a simple and…

Numerical Analysis · Computer Science 2013-05-15 François Cuvelier , Caroline Japhet , Gilles Scarella

Systematic checkpointing of the machine state makes restart of execution from a safe state possible upon detection of an error. The time and energy overhead of checkpointing, however, grows with the frequency of checkpointing. Amortizing…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-11-30 Ismail Akturk , Ulya R. Karpuzcu

Current trends in parallel processors call for the design of efficient massively parallel algorithms for scientific computing. Parallel algorithms for Monte Carlo simulations of thermodynamic ensembles of particles have received little…

Computational Physics · Physics 2013-08-26 Joshua A. Anderson , Eric Jankowski , Thomas L. Grubb , Michael Engel , Sharon C. Glotzer

This study presents a finite element and virtual element (FE-VE) coupled method for thermomechanical analysis in electronic packaging structures. The approach partitions computational domains strategically, employing FEM for regular…

Numerical Analysis · Mathematics 2026-01-14 Yanpeng Gong , Sishuai Li , Yue Mei , Bingbing Xu , Fei Qin , Xiaoying Zhuang , Timon Rabczuk

We present a new framework for expressing finite element methods on multiple intersecting meshes: multimesh finite element methods. The framework enables the use of separate meshes to discretize parts of a computational domain that are…

Numerical Analysis · Mathematics 2018-08-28 August Johansson , Benjamin Kehlet , Mats G. Larson , Anders Logg

Finite Element Analysis (FEA) serves as the cornerstone of modern engineering design. However, its workflow is inherently complex and relies heavily on domain expertise. Although recent efforts have integrated Large Language Models (LLMs)…

Artificial Intelligence · Computer Science 2026-05-29 Jiachen Zhang , Junyi Lao , Chenghao Liu , Siyuan Liu , Shixin Wu , Linsen Zhang , Boyu Wang , Songfang Huang

As the particle count escalates, the computational demands of diverse simulation algorithms surge, paralleled by a marked enhancement in accuracy. The question arises whether this heightened precision asymptotically dwindles towards zero or…

Computational Physics · Physics 2025-01-08 Yonglong Ding

Load balancing is critical for successful large-scale high-performance computing (HPC) simulations. With modern supercomputers increasing in complexity and variability, dynamic load balancing is becoming more critical to use computational…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-07-29 Amitash Nanda , Md Kamal Hossain Chowdhury , Hannah Ross , Kevin Gott

Real-time analysis of bio-heat transfer is very beneficial in improving clinical outcomes of hyperthermia and thermal ablative treatments but challenging to achieve due to large computational costs. This paper presents a fast numerical…

Computational Engineering, Finance, and Science · Computer Science 2021-12-30 Jinao Zhang , Sunita Chauhan

As LLMs and foundation models scale, checkpoint/restore has become a critical pattern for training and inference. With 3D parallelism (tensor, pipeline, data), checkpointing involves many processes, each managing numerous tensors of varying…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-01-01 Mikaila J. Gossman , Avinash Maurya , Bogdan Nicolae , Jon C. Calhoun

Deformable elastic bodies in viscous and viscoelastic media constitute a large portion of synthetic and biological complex fluids. We present a parallelized 3D-simulation methodology which fully resolves the momentum balance in the solid…

Computational Physics · Physics 2019-03-11 Amir Saadat , Chris J. Guido , Gianluca Iaccarino , Eric S. G. Shaqfeh

Large-scale parallel numerical simulations are essential for a wide range of engineering problems that involve complex, coupled physical processes interacting across a broad range of spatial and temporal scales. The data structures involved…

Mathematical Software · Computer Science 2018-10-11 Fande Kong , Roy H. Stogner , Derek R. Gaston , John W. Peterson , Cody J. Permann , Andrew E. Slaughter , Richard C. Martineau

Large-scale electrification is vital to addressing the climate crisis, but several scientific and technological challenges remain to fully electrify both the chemical industry and transportation. In both of these areas, new electrochemical…

The Poisson-Nernst-Planck (PNP) equations are one of the most effective model for describing electrostatic interactions and diffusion processes in ion solution systems, and have been widely used in the numerical simulations of biological…

Numerical Analysis · Mathematics 2023-12-19 Yang Liu , Shi Shu , Ying Yang

Variational quantum algorithms exploit the features of superposition and entanglement to optimize a cost function efficiently by manipulating the quantum states. They are suitable for noisy intermediate-scale quantum (NISQ) computers that…

Quantum Physics · Physics 2023-08-29 Yunya Liu , Jiakun Liu , Jordan R. Raney , Pai Wang

Matrix element reweighting is a powerful experimental technique widely employed to maximize the amount of information that can be extracted from a collider data set. We present a procedure that allows to automatically evaluate the weights…

High Energy Physics - Phenomenology · Physics 2011-02-02 P. Artoisenet , V. Lemaître , F. Maltoni , O. Mattelaer