Related papers: pyGDM -- new functionalities and major improvement…
The multipole expansion of a nano-photonic structure's electromagnetic response is a versatile tool to interpret optical effects in nano-optics, but it only gives access to the modes that are excited by a specific illumination. In…
Microgrids, self contained electrical grids that are capable of disconnecting from the main grid, hold potential in both tackling climate change mitigation via reducing CO2 emissions and adaptation by increasing infrastructure resiliency.…
Scanning transmission electron microscopy (STEM) allows for imaging, diffraction, and spectroscopy of materials on length scales ranging from microns to atoms. By using a high-speed, direct electron detector, it is now possible to record a…
Graph Neural Networks (GNNs) are emerging ML models to analyze graph-structure data. Graph Neural Network (GNN) execution involves both compute-intensive and memory-intensive kernels, the latter dominates the total time, being significantly…
Ordinary Differential Equations (ODE) are used throughout science where the capture of rates of change in states is sought. While both pieces of commercial and open software exist to study such systems, their efficient and accurate usage…
In recent years, the concept of kirigami has been used in creating deployable structures for various scientific and technological applications. While high-fidelity Finite Element Analysis (FEA) is the standard for analyzing stress…
There have been growing discussions on estimating and subsequently reducing the operational carbon footprint of enterprise data centers. The design and intelligent control for data centers have an important impact on data center carbon…
ProtoMD is a toolkit that facilitates the development of algorithms for multiscale molecular dynamics (MD) simulations. It is designed for multiscale methods which capture the dynamic transfer of information across multiple spatial scales,…
Despite advances in physics-based 3D motion synthesis, current methods face key limitations: reliance on pre-reconstructed 3D Gaussian Splatting (3DGS) built from dense multi-view images with time-consuming per-scene optimization; physics…
PyUltraLight simulates the dynamics of ultralight dark matter in a non-expanding background. PyUltraLight can describe the evolution of several interacting ultralight dark matter halos or one or more halos orbiting a central, fixed…
Generative AIBIM, a successful structural design pipeline, has proven its ability to intelligently generate high-quality, diverse, and creative shear wall designs that are tailored to specific physical conditions. However, the current…
Molecular simulations are an important tool for research in physics, chemistry, and biology. The capabilities of simulations can be greatly expanded by providing access to advanced sampling methods and techniques that permit calculation of…
The Python package pylimer-tools is a comprehensive toolkit for computational studies of polymer networks, particularly bead-spring networks. The package provides functionality to generate polymer networks using Monte Carlo (MC) procedures…
Biochemical reactions typically occur at low copy numbers, but at once in crowded and diverse environments. Space and stochasticity therefore play an essential role in biochemical networks. Spatial-stochastic simulations have become a…
Our goal is to extend the denoising diffusion implicit model (DDIM) to general diffusion models~(DMs) besides isotropic diffusions. Instead of constructing a non-Markov noising process as in the original DDIM, we examine the mechanism of…
Computer simulation has become one of the most important tools in scientific research in many disciplines. Benefiting from the dynamical trajectories regulated by versatile interatomic interactions, various material properties can be…
This paper introduces PyGAD, an open-source easy-to-use Python library for building the genetic algorithm. PyGAD supports a wide range of parameters to give the user control over everything in its life cycle. This includes, but is not…
We present pygiftgenerator, a python module for systematically preparing a large number of numerical and multiple-choice questions for Moodle-based quizzes oriented to students' formative evaluation. The use of the module is illustrated by…
We present GLEAM (Galaxy Line Emission & Absorption Modeling), a Python tool for fitting Gaussian models to emission and absorption lines in large samples of 1D extragalactic spectra. GLEAM is tailored to work well in batch mode without…
Open-vocabulary panoptic reconstruction is essential for advanced robotics perception and simulation. However, existing methods based on 3D Gaussian Splatting (3DGS) often struggle to simultaneously achieve geometric accuracy, coherent…