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This report summarizes the work of the Computational Frontier topical group on theoretical calculations and simulation for Snowmass 2021. We discuss the challenges, potential solutions, and needs facing six diverse but related topical areas…

Computational Physics · Physics 2022-09-20 Peter Boyle , Kevin Pedro , Ji Qiang

Computing multivariate derivatives of matrix-like expressions in the compact, coordinate free fashion is very important for both theory and applied computations (e.g. optimization and machine learning). The critical components of such…

Symbolic Computation · Computer Science 2019-12-02 Maciej Skorski

The analysis of experimental results with Python often requires writing many code scripts which all need access to the same set of functions. In a common field of research, this set will be nearly the same for many users. The qspec Python…

Computational Physics · Physics 2025-03-18 Patrick Müller , Wilfried Nörtershäuser

Package-X, a Mathematica package for the analytic computation of one-loop integrals dimensionally regulated near 4 spacetime dimensions is described. Package-X computes arbitrarily high rank tensor integrals with up to three propagators,…

High Energy Physics - Phenomenology · Physics 2015-12-01 Hiren H. Patel

We present the new version of the Mathematica package SARAH which provides the same features for a non-supersymmetric model as previous versions for supersymmetric models. This includes an easy and straightforward definition of the model,…

High Energy Physics - Phenomenology · Physics 2014-04-07 Florian Staub

High-energy physics phenomenology often requires linking multiple computational tools to evaluate observables, likelihoods, and experimental constraints across nontrivial parameter spaces. In this work, we introduce Jarvis-HEP, a…

High Energy Physics - Phenomenology · Physics 2026-04-29 Erdong Guo , Paul Jackson , Jin Min Yang , Pengxuan Zhu

This work introduces a unified emulation framework for studying continuum physics in finite quantum systems. Using a reduced basis method, we construct powerful emulators for the inhomogeneous Schr\"{o}dinger equation that operate in a…

Nuclear Theory · Physics 2025-12-16 Xilin Zhang

We introduce SOFIA, a Mathematica package that automatizes the computation of singularities of Feynman integrals, based on new theoretical understanding of their analytic structure. Given a Feynman diagram, SOFIA generates a list of…

High Energy Physics - Theory · Physics 2026-01-16 Miguel Correia , Mathieu Giroux , Sebastian Mizera

The cost of combustion simulations is often dominated by the evaluation of net production rates of chemical species and mixture thermodynamics (thermochemistry). Execution on computing accelerators (XPUs) like graphic processing units…

We introduce the MathGR package, written in Mathematica. The package can manipulate tensor and GR calculations with either abstract or explicit indices, simplify tensors with permutational symmetries, decompose tensors from abstract indices…

Mathematical Software · Computer Science 2016-12-08 Yi Wang

The central notion of this work is that of a functor between categories of finitely presented modules over so-called computable rings, i.e. rings R where one can algorithmically solve inhomogeneous linear equations with coefficients in R.…

Commutative Algebra · Mathematics 2016-12-06 Mohamed Barakat , Daniel Robertz

Computation is a central aspect of modern science and engineering work, and yet, computational instruction has yet to fully pervade university STEM curricula. In physics, we have begun to integrate computation into our courses in a variety…

Physics Education · Physics 2017-09-19 Marcos. D. Caballero , Michael J. Obsniuk , Paul W. Irving

In this work we demonstrate that significant gains in performance and data efficiency can be achieved in High Energy Physics (HEP) by moving beyond the standard paradigm of sequential optimization or reconstruction and analysis components.…

High Energy Physics - Experiment · Physics 2024-01-26 Matthias Vigl , Nicole Hartman , Lukas Heinrich

We introduce the package \textbf{arrangements} for the software CoCoA. This package provides a data structure and the necessary methods for working with hyperplane arrangements. In particular, the package implements methods to enumerate…

Algebraic Geometry · Mathematics 2019-10-16 Elisa Palezzato , Michele Torielli

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…

Computational Physics · Physics 2025-04-18 Adalberto Perez , Siavash Toosi , Tim Felle Olsen , Stefano Markidis , Philipp Schlatter

Physics makes powerful use of mathematics, yet the way this use is made is often poorly understood. Professionals closely integrate their mathematical symbology with physical meaning, resulting in a powerful and productive structure. But…

Physics Education · Physics 2010-02-03 Edward F. Redish , Ayush Gupta

We present FaRe, a package for Mathematica that implements the decomposition of a generic tensor Feynman integral, with arbitrary loop number, into scalar integrals in higher dimension. In order for FaRe to work, the package FeynCalc is…

High Energy Physics - Phenomenology · Physics 2016-03-23 Michele Re Fiorentin

We present the Mathematica package SpinorHelicity4D, a dedicated suite for analytic and numeric calculations involving four-dimensional massless and massive spinor-helicity formalism. Analytic features of the package include for example:…

High Energy Physics - Theory · Physics 2023-04-05 Manuel Accettulli Huber

We present trainsum, a versatile Python package for doing computations with multidimensional quantics tensor trains: https://github.com/fh-igd-iet/trainsum. Using the Array API standard together with opt_einsum, trainsum allows the…

Mathematical Software · Computer Science 2026-02-25 Paul Haubenwallner , Matthias Heller

A review of tools and methods to calculate electrostatic potentials and fields inside high-purity germanium detectors in various configurations is given. The methods are illustrated concretely with a new educational program named GeFiCa -…

Instrumentation and Detectors · Physics 2020-06-23 Jianchen Li , Jing Liu , Kyler Kooi
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