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This research introduces an improved framework for constructing matrix product operators (MPOs) and tree tensor network operators (TTNOs), crucial tools in quantum simulations. A given (Hamiltonian) operator typically has a known symbolic…

Quantum Physics · Physics 2025-07-04 Hazar Çakır , Richard M. Milbradt , Christian B. Mendl

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

This paper presents a lightweight, open-source and high-performance python package for solving peridynamics problems in solid mechanics. The development of this solver is motivated by the need for fast analysis tools to achieve the large…

Software Engineering · Computer Science 2021-09-15 B. Boys , T. J. Dodwell , M. Hobbs , M. Girolami

HIPSTER (Heavily Ionising Particle Standard Toolkit for Event Recognition) is an open source Python package designed to facilitate the use of TensorFlow in a high energy physics analysis context. The core functionality of the software is…

High Energy Physics - Experiment · Physics 2019-09-18 Adrian Bevan , Thomas Charman , Jonathan Hays

pyGDM is a python toolkit for electro-dynamical simulations of individual nano-structures, based on the Green Dyadic Method (GDM). pyGDM uses the concept of a generalized propagator, which allows to solve cost-efficiently monochromatic…

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

We present the reaction-coordinate polaron-transform (RCPT) framework for generating effective Hamiltonian models to treat nonequilibrium open quantum systems at strong coupling with their surroundings. Our approach, which is based on two…

Quantum Physics · Physics 2022-11-11 Nicholas Anto-Sztrikacs , Ahsan Nazir , Dvira Segal

Phonon Boltzmann transport equation (BTE) is a key tool for modeling multiscale phonon transport, which is critical to the thermal management of miniaturized integrated circuits, but assumptions about the system temperatures (i.e., small…

Computational Physics · Physics 2022-01-14 Ruiyang Li , Jian-Xun Wang , Eungkyu Lee , Tengfei Luo

The scale of large pre-trained models (PTMs) poses significant challenges in adapting to downstream tasks due to the high optimization overhead and storage costs associated with full-parameter fine-tuning. To address this, many studies…

Machine Learning · Computer Science 2023-07-07 Shengding Hu , Ning Ding , Weilin Zhao , Xingtai Lv , Zhen Zhang , Zhiyuan Liu , Maosong Sun

Accurately quantifying the thermodynamic work costs of quantum operations is essential for the continued development and optimisation of emerging quantum technologies. This present a significant challenge in regimes of rapid control within…

Quantum Physics · Physics 2025-12-19 Mike Shubrook , Moritz Cygorek , Erik Gauger , Jake Iles-Smith , Ahsan Nazir

An open source software package for modelling thermal neutron transport is presented. The code facilitates Monte Carlo-based transport simulations and focuses in the initial release on interactions in both mosaic single crystals as well as…

Computational Physics · Physics 2019-11-06 Xiao-Xiao Cai , Thomas Kittelmann

We present TabMixNN, a flexible PyTorch-based deep learning framework that synthesizes classical mixed-effects modeling with modern neural network architectures for tabular data analysis. TabMixNN addresses the growing need for methods that…

Machine Learning · Computer Science 2026-01-01 Deniz Akdemir

For multilayer structures, interfacial failure is one of the most important elements related to device reliability. For cohesive zone modelling, traction-separation relations represent the adhesive interactions across interfaces. However,…

Computational Engineering, Finance, and Science · Computer Science 2023-01-02 Congjie Wei , Jiaxin Zhang , Kenneth M. Liechti , Chenglin Wu

A tree tensor network variational method is proposed to simulate quantum many-body systems with global symmetries where the optimization is reduced to individual charge configurations. A computational scheme is presented, how to extract the…

Strongly Correlated Electrons · Physics 2013-11-13 Iztok Pizorn , Frank Verstraete , Robert M. Konik

PyTransport constitutes a straightforward code written in C++ together with Python scripts which automatically edit, compile and run the C++ code as a Python module. It has been written for Unix-like systems (OS X and Linux). Primarily the…

Cosmology and Nongalactic Astrophysics · Physics 2017-08-25 David J. Mulryne , John W. Ronayne

We present a systematic study of Tensor Network (TN) models $\unicode{x2013}$ Matrix Product States (MPS) and Tree Tensor Networks (TTN) $\unicode{x2013}$ for real-time jet tagging in high-energy physics, with a focus on low-latency…

A novel algorithm based on the optimized decimation of tensor networks with super-orthogonalization (ODTNS) that can be applied to simulate efficiently and accurately not only the thermodynamic but also the ground state properties of…

Statistical Mechanics · Physics 2015-06-05 Shi-Ju Ran , Wei Li , Bin Xi , Zhe Zhang , Gang Su

We introduce QDsim, a python package tailored for the rapid generation of charge stability diagrams in large-scale quantum dot devices, extending beyond traditional double or triple dots. QDsim is founded on the constant interaction model…

Mesoscale and Nanoscale Physics · Physics 2025-01-29 Valentina Gualtieri , Charles Renshaw-Whitman , Vinicius Hernandes , Eliska Greplova

The Information Dynamics Toolkit xl (IDTxl) is a comprehensive software package for efficient inference of networks and their node dynamics from multivariate time series data using information theory. IDTxl provides functionality to…

We present PINNACLE, an open-source computational framework for physics-informed neural networks (PINNs) that integrates modern training strategies, multi-GPU acceleration, and hybrid quantum-classical architectures within a unified modular…

Machine Learning · Computer Science 2026-04-20 Shimon Pisnoy , Hemanth Chandravamsi , Ziv Chen , Aaron Goldgewert , Gal Shaviner , Boris Shragner , Steven H. Frankel