相关论文: A Task Programming Implementation for the Particle…

Electromagnetic scattering and absorption by material particles is a fundamental physical problem with a broad range of applications, going from laboratory experiments, biology and material sciences, all the way up to environmental studies…

We present a computational algorithm for computing short range forces between particles. The algorithm has two distinguishing features. First, it is optimized for multi-processor computers, and will use as many processors as are available.…

Multi-scale computer simulations combine the computationally efficient classical algorithms with more expensive but also more accurate ab-initio quantum mechanical algorithms. This work describes one implementation of multi-scale…

With the rapid advancement of artificial intelligence, there is an increasing demand for intelligent robots capable of assisting humans in daily tasks and performing complex operations. Such robots not only require task planning…

The particle-in-cell (PIC) method is successfully used to study magnetized plasmas. However, this requires large computational costs and limits simulations to short physical run-times and often to setups in less than three spatial…

The molecular dynamics simulation code ls1 mardyn is presented. It is a highly scalable code, optimized for massively parallel execution on supercomputing architectures, and currently holds the world record for the largest molecular…

Task-based programming models have become very popular, as they offer an attractive solution to parallelize serial application code with task and data annotations. They usually depend on a runtime system that schedules the tasks to multiple…

The availability of open-source molecular simulation software packages allows scientists and engineers to focus on running and analyzing simulations without having to write, parallelize, and validate their own simulation software. While…

We introduce a new electrostatic particle-in-cell algorithm capable of using large timesteps compared to particle gyro-period under a uniform external magnetic field. The algorithm extends earlier electrostatic fully implicit PIC…

Large Language Models (LLMs) exhibit remarkable capabilities in the hierarchical decomposition of complex tasks through semantic reasoning. However, their application in embodied systems faces challenges in ensuring reliable execution of…

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…

We develop a framework which aims to simplify the analysis of quantum states and quantum operations by harnessing the potential of function programming paradigm. We show that the introduced framework allows a seamless manipulation of…

The resources needed for Particle in Cell simulations of Laser Wakefield Acceleration can be greatly reduced in many cases of interest using an envelope model. However, the inclusion of tunneling ionization in this time averaged treatment…

We review a family of local algorithms that permit the simulation of charged particles with purely local dynamics. Molecular dynamics formulations lead to discretizations similar to those of ``particle in cell'' methods in plasma physics.…

In this paper, we present an efficient Particle-In-Cell algorithm for the simulation of the three dimensional Vlasov-Poisson system in the presence of a strong external magnetic field. When the intensity of the magnetic field is…

This article describes a new, fully adaptive Particle-Multiple-Mesh numerical simulation code developed primarily for simulations of small regions (such as a group of galaxies) in a cosmological context. It integrates the equations of…

I describe here the performance of a parallel treecode with individual particle timesteps. The code is based on the Barnes-Hut algorithm and runs cosmological N-body simulations on parallel machines with a distributed memory architecture…

Many reasoning, planning, and problem-solving tasks share an intrinsic algorithmic nature: correctly simulating each step is a sufficient condition to solve them correctly. This work studies to what extent Large Language Models (LLMs) can…

Large Language Models (LLMs) are transforming programming practices, offering significant capabilities for code generation activities. While researchers have explored the potential of LLMs in various domains, this paper focuses on their use…

The implementation of simple, inexpensive, and mass-production-oriented solutions for smart electromagnetic environments (SEMEs) is dealt with by introducing the concept of "one-time programmable" electromagnetic skins (OTP-EMSs). The…