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We present an introduction to the Quantum Toolbox in Python (QuTiP) in the context of an undergraduate quantum mechanics class and potential senior research projects. QuTiP provides ready-to-use definitions of standard quantum states and…

Physics Education · Physics 2019-10-01 Andrew M. C. Dawes

In this paper, we introduce SciANN, a Python package for scientific computing and physics-informed deep learning using artificial neural networks. SciANN uses the widely used deep-learning packages Tensorflow and Keras to build deep neural…

Other Computer Science · Computer Science 2020-12-30 Ehsan Haghighat , Ruben Juanes

Tkwant is a Python package for the simulation of quantum nanoelectronics devices to which external time-dependent perturbations are applied. Tkwant is an extension of the Kwant package (https://kwant-project.org/) and can handle the same…

Mesoscale and Nanoscale Physics · Physics 2021-02-23 Thomas Kloss , Joseph Weston , Benoit Gaury , Benoit Rossignol , Christoph Groth , Xavier Waintal

Multilinear algebra kernel performance on modern massively-parallel systems is determined mainly by data movement. However, deriving data movement-optimal distributed schedules for programs with many high-dimensional inputs is a notoriously…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-06-17 Alexandros Nikolaos Ziogas , Grzegorz Kwasniewski , Tal Ben-Nun , Timo Schneider , Torsten Hoefler

We present OGRe, a modern Mathematica package for tensor calculus, designed to be both powerful and user-friendly. The package can be used in a variety of contexts where tensor calculations are needed, in both mathematics and physics, but…

Mathematical Software · Computer Science 2025-12-29 Barak Shoshany

Bayesian inference in high-dimensional discrete-input additive noise models is a fundamental challenge in communication systems, as the support of the required joint a posteriori probability (APP) mass function grows exponentially with the…

Information Theory · Computer Science 2026-04-08 Luca Schmid , Dominik Sulz , Shrinivas Chimmalgi , Laurent Schmalen

Numerical integration is a classical problem emerging in many fields of science. Multivariate integration cannot be approached with classical methods due to the exponential growth of the number of quadrature nodes. We propose a method to…

Numerical Analysis · Mathematics 2021-08-23 Lev I. Vysotsky , Alexander V. Smirnov , Eugene E. Tyrtyshnikov

We present a novel procedure for optimization based on the combination of efficient quantized tensor train representation and a generalized maximum matrix volume principle. We demonstrate the applicability of the new Tensor Train Optimizer…

Machine Learning · Computer Science 2022-09-29 Konstantin Sozykin , Andrei Chertkov , Roman Schutski , Anh-Huy Phan , Andrzej Cichocki , Ivan Oseledets

TextDescriptives is a Python package for calculating a large variety of metrics from text. It is built on top of spaCy and can be easily integrated into existing workflows. The package has already been used for analysing the linguistic…

Computation and Language · Computer Science 2023-10-30 Lasse Hansen , Ludvig Renbo Olsen , Kenneth Enevoldsen

The Spinsim python package simulates spin-half and spin-one quantum mechanical systems following a time dependent Shroedinger equation. It makes use of numba.cuda, which is an LLVM (Low Level Virtual Machine) compiler for Nvidia Cuda…

Quantum Physics · Physics 2023-03-22 Alex Tritt , Joshua Morris , Joel Hochstetter , R. P. Anderson , James Saunderson , L. D. Turner

Real-world physical systems, like composite materials and porous media, exhibit complex heterogeneities and multiscale nature, posing significant computational challenges. Computational homogenization is useful for predicting macroscopic…

Computational Engineering, Finance, and Science · Computer Science 2024-07-29 Yuki Sato , Yuto Lewis Terashima , Ruho Kondo

This work proposes a novel general-purpose estimator for supervised machine learning (ML) based on tensor trains (TT). The estimator uses TTs to parametrize discretized functions, which are then optimized using Riemannian gradient descent…

Machine Learning · Computer Science 2022-03-10 Bart Vandereycken , Rik Voorhaar

We present an open-source computer program written in Python language for quantum measurement and related issues. In our program, quantum states and operators, including quantum gates, can be developed into a quantum-object function…

Quantum Physics · Physics 2021-03-17 Le Bin Ho , Kieu Quang Tuan , Hung Q. Nguyen

Distributed, large-scale quantum computing will need architectures that combine matter-based qubits with photonic links, but today's software stacks target either gate-based chips or linear-optical devices in isolation. We introduce Optyx,…

We introduce compositional tensor trains (CTTs) for the approximation of multivariate functions, a class of models obtained by composing low-rank functions in the tensor-train format. This format can encode standard approximation tools,…

Numerical Analysis · Mathematics 2025-12-23 Martin Eigel , Charles Miranda , Anthony Nouy , David Sommer

anesthetic is a Python package for processing nested sampling runs, and will be useful for any scientist or statistician who uses nested sampling software. anesthetic unifies many existing tools and techniques in an extensible framework…

Instrumentation and Methods for Astrophysics · Physics 2019-05-14 Will Handley

The program package GoSam is presented which aims at the automated calculation of one-loop amplitudes for multi-particle processes. The amplitudes are generated in terms of Feynman diagrams and can be reduced using either D-dimensional…

High Energy Physics - Phenomenology · Physics 2015-06-03 G. Cullen , N. Greiner , G. Heinrich , G. Luisoni , P. Mastrolia , G. Ossola , T. Reiter , F. Tramontano

A complete and rigorously validated open-source Python framework to automate point defect calculations using density functional theory has been developed. The framework provides an effective and efficient method for defect structure…

Materials Science · Physics 2021-04-01 Anuj Goyal , Prashun Gorai , Haowei Peng , Stephan Lany , Vladan Stevanovic

We present a new Python package that uses the established notion of geometric quantum complexity to numerically compute the difficulty associated with preparing a given unitary transformation on a quantum computer. The numerical procedure…

We introduces the Quantum-Train(QT) framework, a novel approach that integrates quantum computing with classical machine learning algorithms to address significant challenges in data encoding, model compression, and inference hardware…

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