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This work introduces ParAMS -- a versatile Python package that aims to make parameterization workflows in computational chemistry and physics more accessible, transparent and reproducible. We demonstrate how ParAMS facilitates the parameter…

Chemical Physics · Physics 2021-05-18 Leonid Komissarov , Robert Rüger , Matti Hellström , Toon Verstraelen

We report on the three Mathematica packages hexagon, CSectors, AMBRE. They are useful for the evaluation of one- and two-loop Feynman integrals with a dependence on several kinematical scales. These integrals are typically needed for LHC…

High Energy Physics - Phenomenology · Physics 2014-11-18 Janusz Gluza , Krzysztof Kajda , Tord Riemann , Valery Yundin

In this paper we present the package S@M (Spinors@Mathematica) which implements the spinor-helicity formalism in Mathematica. The package allows the use of complex-spinor algebra along with the multi-purpose features of Mathematica. The…

High Energy Physics - Phenomenology · Physics 2009-05-22 D. Maitre , P. Mastrolia

CalcHEP is a package for computation of Feynman diagrams and integration over multi-particle phase space. The main idea prescribed into CalcHEP is to make available passing on from Lagrangians to the final distributions effectively with a…

High Energy Physics - Phenomenology · Physics 2009-10-21 Alexander Pukhov

We present the python package DiPolMol-Py, which can be used to calculate the rotational and hyperfine structure of $^2\Sigma$ molecules. The calculations can be performed in the presence of dc magnetic fields, dc electric fields and far…

Atomic Physics · Physics 2025-09-01 Bethan Humphreys , Alex J. Matthies , Hannah J. Williams

We present the Mathematica package QMeS-Derivation. It derives symbolic functional equations from a given master equation. The latter include functional renormalisation group equations, Dyson-Schwinger equations, Slavnov-Taylor and Ward…

High Energy Physics - Phenomenology · Physics 2022-02-09 Jan M. Pawlowski , Coralie S. Schneider , Nicolas Wink

PESummary is a Python software package for processing and visualising data from any parameter estimation code. The easy to use Python executable scripts and extensive online documentation has resulted in PESummary becoming a key component…

Instrumentation and Methods for Astrophysics · Physics 2021-08-12 Charlie Hoy , Vivien Raymond

We present an improved version of our program package oneloop which -- written as a package for MAPLE -- solves one-loop Feynman integrals. The package is calculating one-, two- and three-point functions both algebraically and numerically…

High Energy Physics - Phenomenology · Physics 2009-10-30 L. Brücher , J. Franzkowski , D. Kreimer

HEP-Frame is a new C++ package designed to efficiently perform analyses of data sets from a very large number of events, like those available at the Large Hadron Collider (LHC) at CERN, Geneva. It mainly targets high performance servers and…

High Energy Physics - Experiment · Physics 2023-03-10 A. Pereira , A. Onofre , A. Proenca

This article introduces the next version of MathPSfrag. MathPSfrag is a Mathematica package that during export automatically replaces all expressions in a plot by corresponding LaTeX commands. The new version can also produce LaTeX…

Graphics · Computer Science 2008-01-16 Johannes Große

Computing the trajectories of particles in generic beamlines is an important ingredient of experimental particle physics, in particular regarding near-beam detectors. A new tool, Hector, has been built for such calculations, using the…

Accelerator Physics · Physics 2008-11-26 J. de Favereau de Jeneret , X. Rouby , K. Piotrzkowski

We present the Mathematica package E6Tensors, a tool for explicit tensor calculations in E6 gauge theories. In addition to matrix expressions for the group generators of E6, it provides structure constants, various higher rank tensors and…

High Energy Physics - Phenomenology · Physics 2017-03-08 Thomas Deppisch

Recent developments in many-body potential energy representation via deep learning have brought new hopes to addressing the accuracy-versus-efficiency dilemma in molecular simulations. Here we describe DeePMD-kit, a package written in…

Computational Physics · Physics 2018-05-23 Han Wang , Linfeng Zhang , Jiequn Han , Weinan E

This note introduces CutLang, a domain specific language that aims to provide a clear, human readable way to define analyses in high energy particle physics (HEP) along with an interpretation framework of that language. A proof of principle…

High Energy Physics - Phenomenology · Physics 2018-09-19 Sezen Sekmen , Gokhan Unel

Here we present a program aimed at free-energy calculations in molecular systems. It consists of a series of routines that can be interfaced with the most popular classical molecular dynamics (MD) codes through a simple patching procedure.…

We introduce geomstats, a python package that performs computations on manifolds such as hyperspheres, hyperbolic spaces, spaces of symmetric positive definite matrices and Lie groups of transformations. We provide efficient and extensively…

Machine Learning · Computer Science 2018-11-07 Nina Miolane , Johan Mathe , Claire Donnat , Mikael Jorda , Xavier Pennec

This work introduces a new software package `Sesame' for the numerical computation of classical semiconductor equations. It supports 1 and 2-dimensional systems and provides tools to easily implement extended defects such as grain…

Applied Physics · Physics 2019-05-01 Benoit Gaury , Yubo Sun , Peter Bermel , Paul M. Haney

It is for the first time that Quantum Simulation for High Energy Physics (HEP) is studied in the U.S. decadal particle-physics community planning, and in fact until recently, this was not considered a mainstream topic in the community. This…

Today's world of scientific software for High Energy Physics (HEP) is powered by x86 code, while the future will be much more reliant on accelerators like GPUs and FPGAs. The portable parallelization strategies (PPS) project of the High…

Among the upgrades in current high energy physics (HEP) experiments and the new facilities coming online, solving software challenges has become integral for the success of the collaborations, The demand for human resources highly-skilled…

Physics Education · Physics 2023-03-01 Michel H. Villanueva , Sudhir Malik , Meirin Oan Evans