Related papers: LASY: LAser manipulations made eaSY

For many macromolecular systems the accurate sampling of the relevant regions on the potential energy surface cannot be obtained by a single, long Molecular Dynamics (MD) trajectory. New approaches are required to promote more efficient…

Laser-plasma based experiments are always more demanding about the plasma features which need to be generated during the interaction. This is valid for laser-plasma acceleration as well as for inertial confinement fusion experiments. Most…

The Simulation Environment for Atomistic and Molecular Modeling (SEAMM) is an open-source software package written in Python that provides a graphical interface for setting up, executing, and analyzing molecular and materials simulations.…

Scientific applications produce a huge amount of data, which imposes serious management and analysis challenges. In particular, limitations in current database management systems prevent their adoption in simulation applications, in which…

Computational meshes, as a way to partition space, form the basis of much of PDE simulation technology, for instance for the finite element and finite volume discretization methods. In complex simulations, we are often driven to modify an…

QC Lab is an open-source Python package for QC dynamics simulations aimed to promote the development of QC algorithms, and their application to a wide variety of relevant model problems. It follows a modular design that facilitates…

PySEMTools is a Python-based library for post-processing simulation data produced with high-order hexahedral elements in the context of the spectral element method in computational fluid dynamics. It aims to minimize intermediate steps…

Simulations are valuable tools for empirically evaluating the properties of statistical methods and are primarily employed in methodological research to draw general conclusions about methods. In addition, they can often be useful to…

Plyades: A Python Library for Space Mission Design Designing a space mission is a computation-heavy task. Software tools that conduct the necessary numerical simulations and optimizations are therefore indispensable. The usability of…

We present the first public release (v0.1) of the open-source GADGET Dataframe Library: gadfly. The aim of this package is to leverage the capabilities of the broader python scientific computing ecosystem by providing tools for analyzing…

This paper presents a lightweight, open-source and high-performance python package for solving peridynamics problems in solid mechanics. The development of this solver is motivated by the need for fast analysis tools to achieve the large…

We present a python object-oriented computer program for simulating various aspects of laser cooling physics. Our software is designed to be both easy to use and adaptable, allowing the user to specify the level structure, magnetic field…

We present Lyncs-API, a Python API for Lattice QCD applications currently under development. Lyncs aims to bring several widely used libraries for Lattice QCD under a common framework. Lyncs flexibly links to libraries for CPUs and GPUs in…

We introduce atomSmltr, a Python package for simulating laser cooling in complex magnetic field and laser beams geometries. The package features a modular design that enables users to easily construct experimental setups, including magnetic…

Within academia and industry, there has been a need for expansive simulation frameworks that include model-based simulation of sensors, mobile vehicles, and the environment around them. To this end, the modular, real-time, and open-source…

A method for the optimisation and advanced studies of a laser-plasma electron injector is presented, based on a truncated ionisation injection scheme for high quality beam production. The SMILEI code is used with laser envelope…

Large language models (LLMs) are increasingly used for generating parallel scientific codes, with a primary focus on generating functionally correct code. Recent work has focused on generating performant code, with an emphasis on its…

Synthesizing controllers for large, complex, and distributed systems is a challenging task. Numerous proposed methods exist in the literature, but it is difficult for practitioners to apply them -- most proposed synthesis methods lack…

relentless is an open-source Python package that enables the optimization of objective functions computed using molecular dynamics simulations. It has a high-level, extensible interface for model parametrization; setting up, running, and…

Existing LoRaWAN/LoRa simulators consist of large, complicated C++ codebases and often do not support all device classes. This paper presents the design of a simple to use, Python-based discrete-event simulator that addresses these gaps…