Related papers: PyLRO: A Python Calculator for Analyzing Long Rang…
This work introduces SwarmRL, a Python package designed to study intelligent active particles. SwarmRL provides an easy-to-use interface for developing models to control microscopic colloids using classical control and deep reinforcement…
Modular Reconfigurable Robots (MRRs) represent an exciting path forward for industrial robotics, opening up new possibilities for robot design. Compared to monolithic manipulators, they promise greater flexibility, improved maintainability,…
We present TaylUR, a Fortran 95 module to automatically compute the numerical values of a complex-valued function's derivatives w.r.t. several variables up to an arbitrary order in each variable, but excluding mixed derivatives. Arithmetic…
Tabular prediction traditionally relies on gradient-boosted decision trees and deep learning models, which excel in specific tasks but lack interpretability and transferability. Reasoning large language models (LLMs) promise cross-task…
A method to calculate heavy flavor visible-level cross sections at Next-to-Leading Order (NLO) in Quantum Chromodynamics (QCD), based on an interface of the FMNR program to PYTHIA, is described. It uses the NLO prediction at quark level…
PyLog is a minimal experimental proof assistant based on linearised natural deduction for intuitionistic and classical first-order logic extended with a comprehension operator. PyLog is interesting as a tool to be used in conjunction with…
Exascale computing delivers the raw power to simulate ever larger and more chemically realistic systems, but realizing this potential requires codes that can efficiently use thousands of processors. Our real-space multigrid (RMG) density…
Many different types of phases can form within alloys, from highly-ordered intermetallic compounds, to structurally-ordered but chemically-disordered solid solutions, and structurally-disordered (i.e. amorphous) metallic glasses. The…
The traditional display of elements in the periodic table is convenient for the study of chemistry and physics. However, the atomic number alone is insufficient for training statistical machine learning models to describe and extract…
The concept of partial structure R1 (pR1) is a generalization of the concept of single atom R1 (sR1) (Zhang & Donahue, 2024). The hypothesis is that the deepest hole of a pR1 map determines the orientation and location of a missing…
partycls is a Python framework for cluster analysis of systems of interacting particles. By grouping particles that share similar structural or dynamical properties, partycls enables rapid and unsupervised exploration of the system's…
We use Monte Carlo simulations to evaluate the feasibility of detecting thermal order by disorder in real antiferromagnetic Ising pyrochlores, frustrated by a magnetic field applied in the $[110]$ direction. Building on an ideal system with…
This paper presents a Python object-oriented software and code to compute the annual production resilience indicator. The annual production resilience indicator can be applied to different anthropic and natural systems such as agricultural…
Since Lorenz's seminal work on a simplified weather model, the numerical analysis of nonlinear dynamical systems has become one of the main subjects of research in physics. Despite of that, there remains a need for accessible, efficient,…
Accurate structural analysis is essential to gain physical knowledge and understanding of atomic-scale processes in materials from atomistic simulations. However, traditional analysis methods often reach their limits when applied to…
Polarized parton distributions and structure functions of the nucleon are analyzed in the improved valon model. The valon representation provides a model to represent hadrons in terms of quarks, providing a unified description of bound…
We present a collection of tools automating the efficient computation of large sets of theory predictions for high-energy physics. Calculating predictions for different processes often require dedicated programs. These programs, however,…
Wavelets and Multiwavelets have lately been adopted in Quantum Chemistry to overcome challenges presented by the two main families of basis sets: Gaussian atomic orbitals and plane waves. In addition to their numerical advantages (high…
diffpy$.$morph addresses a need to gain scientific insights from 1D scientific spectra in model independent ways. A powerful approach for this is to take differences between pairs of spectra and look for meaningful changes that might…
Version 14 of XtalOpt, an evolutionary multi-objective global optimization algorithm for crystal structure prediction, is now available for download from its official website https://xtalopt.github.io, and the Computer Physics…