相关论文: CMISTARK: Python package for the Stark-effect calc…

ePSproc provides codes for post-processing results from ePolyScat (ePS), a suite of codes for the calculation of quantum scattering problems, developed and released by Luchesse \& co-workers (Gianturco et al. 1994)(Natalense and Lucchese…

Scanning tunneling and atomic force microscopies (STM/nc-AFM) are rapidly progressing to offer unprecedented spatial resolution of a diverse array of chemical species. In particular, they are employed to characterize on-surface chemical…

The Python colorspace package provides a toolbox for mapping between different color spaces which can then be used to generate a wide range of perceptually-based color palettes for qualitative or quantitative (sequential or diverging)…

The package CosmoLib is a combination of a cosmological Boltzmann code and a simulation toolkit to forecast the constraints on cosmological parameters from future observations. In this paper we describe the released linear-order part of the…

Ordinary differential equation models facilitate the understanding of cellular signal transduction and other biological processes. However, for large and comprehensive models, the computational cost of simulating or calibrating can be…

Wilson is a Python library for matching and running Wilson coefficients of higher-dimensional operators beyond the Standard Model. Provided with the numerical values of the Wilson coefficients at a high new physics scale, it automatically…

This paper presents `chipfiring`, a comprehensive Python package for the mathematical analysis of chip-firing games on finite graphs. The package provides a robust toolkit for defining graphs and chip configurations (divisors), performing…

This study presented a type of image processing code which is used for sharpening photoelastic fringe patterns of transparent materials in photoelastic experiences to determine the stress distribution. C-Sharp software was utilized for…

We have derived whole-sky CMB polarization maps from the WMAP 5 year polarization data, using the Harmonic Internal Linear Combination (HILC) method. Our HILC method incorporates spatial variability of linear weights in a natural way and…

Modern analysis of high energy physics (HEP) data needs advanced statistical tools to separate signal from background. A C++ package has been implemented to provide such tools for the HEP community. The package includes linear and quadratic…

Scikit-network is a Python package inspired by scikit-learn for the analysis of large graphs. Graphs are represented by their adjacency matrix in the sparse CSR format of SciPy. The package provides state-of-the-art algorithms for ranking,…

We present M-SPARC: MATLAB-Simulation Package for Ab-initio Real-space Calculations. It can perform pseudopotential spin-polarized and unpolarized Kohn-Sham Density Functional Theory (DFT) simulations for isolated systems such as molecules…

We present an open source Python 3 library aimed at practitioners of molecular simulation, especially Monte Carlo simulation. The aims of the library are to facilitate the generation of simulation data for a wide range of problems; and to…

We present an open-source, performant, pure-python molecular dynamics (MD) suite for non-ideal plasmas. The code, Sarkas, aims to accelerate the research process by providing an MD code but also pre- and post-processing tools. Sarkas offers…

We describe the implementation of an angular power spectrum estimator in the flat sky approximation. POKER (P. Of k EstimatoR) is based on the MASTER algorithm developped by Hivon and collaborators in the context of CMB anisotropy. It works…

The efficient and accurate calculation of how ionic quantum and thermal fluctuations impact the free energy of a crystal, its atomic structure, and phonon spectrum is one of the main challenges of solid state physics, especially when strong…

CHEMSMART (Chemistry Simulation and Modeling Automation Toolkit) is an open-source, Python-based framework designed to streamline quantum chemistry workflows for homogeneous catalysis and molecular modeling. By integrating job preparation,…

We describe a unique approach to economizing the solution to the general chemical equilibrium and equation-of-state problem for late-type stars, including diatomic and polyatomic molecules, that is fast, accurate, and suitable for…

Adiabatic quantum computing (AQC) is a promising approach for discrete and often NP-hard optimization problems. Current AQCs allow to implement problems of research interest, which has sparked the development of quantum representations for…

Realizing the extraordinary scientific potential of the CMB requires precise measurements of its tiny anisotropies over a significant fraction of the sky at very high resolution. The analysis of the resulting datasets is a serious…