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We present a novel open-source Python framework called NanoNET (Nanoscale Non-equilibrium Electron Transport) for modelling electronic structure and transport. Our method is based on the tight-binding method and non-equilibrium Green's…

Computational Physics · Physics 2020-12-02 M. V. Klymenko , J. A. Vaitkus , J. S. Smith , J. H. Cole

TensorNetwork is an open source library for implementing tensor network algorithms in TensorFlow. We describe a tree tensor network (TTN) algorithm for approximating the ground state of either a periodic quantum spin chain (1D) or a lattice…

Strongly Correlated Electrons · Physics 2019-05-07 Ashley Milsted , Martin Ganahl , Stefan Leichenauer , Jack Hidary , Guifre Vidal

An augmented tree tensor network (aTTN) is a tensor network ansatz constructed by applying a layer of unitary disentanglers to a tree tensor network. The disentanglers absorb a part of the system's entanglement. This makes aTTNs suitable…

Quantum Physics · Physics 2025-07-30 Nora Reinić , Luka Pavešić , Daniel Jaschke , Simone Montangero

Tensor networks, such as matrix product states (MPS) and tree tensor network states (TTNS), are powerful ans\"atze for simulating quantum dynamics. While both ans\"atze are theoretically exact in the limit of large bond dimensions, [J.…

Chemical Physics · Physics 2025-12-15 Weitang Li , Jiajun Ren , Jun Yan

Originating in quantum physics, tensor networks (TNs) have been widely adopted as exponential machines and parameter decomposers for recognition tasks. Typical TN models, such as Matrix Product States (MPS), have not yet achieved successful…

Computer Vision and Pattern Recognition · Computer Science 2025-02-17 Chang Nie , Junfang Chen , Yajie Chen

The hierarchical equations of motion (HEOM) method is a numerically exact open quantum system dynamics approach. The method is rooted in an exponential expansion of the bath correlation function, which in essence strategically reshapes a…

Chemical Physics · Physics 2023-06-14 Yaling Ke

Recently, a lot of papers proposed to use neural networks to approximately solve partial differential equations (PDEs). Yet, there has been a lack of flexible framework for convenient experimentation. In an attempt to fill the gap, we…

Machine Learning · Computer Science 2019-09-26 Alexander Koryagin , Roman Khudorozkov , Sergey Tsimfer

In this work, we present a software package in Python for high-throughput first-principles calculations of thermodynamic properties at finite temperatures, which we refer to as DFTTK (Density Functional Theory Tool Kit). DFTTK is based on…

This book serves as an introductory yet thorough guide to tensor networks and their applications in quantum computation and quantum information, designed for advanced undergraduate and graduate-level readers. In Part I, foundational topics…

Quantum Physics · Physics 2025-03-07 Mario Collura , Guglielmo Lami , Nishan Ranabhat , Alessandro Santini

This article presents an open-source Python package for simulating micro-thermoelectric generators, based on the work by D. Beretta et al. (Sustainable Energy Fuels, 2017). Featuring a user-friendly graphical user interface and robust…

Mesoscale and Nanoscale Physics · Physics 2025-10-21 D. Beretta

The hybrid tensor network (HTN) method is a general framework allowing for the construction of an effective wavefunction with the combination of classical tensors and quantum tensors, i.e., amplitudes of quantum states. In particular,…

Quantum Physics · Physics 2025-08-08 Hiroyuki Harada , Yasunari Suzuki , Bo Yang , Yuuki Tokunaga , Suguru Endo

We investigate quantum algorithms derived from tensor networks to simulate the static and dynamic properties of quantum many-body systems. Using a sequentially prepared quantum circuit representation of a matrix product state (MPS) that we…

Quantum Physics · Physics 2024-12-04 Michael L. Wall , Aidan Reilly , John S. Van Dyke , Collin Broholm , Paraj Titum

The numerical simulation of two-dimensional quantum many-body systems away from equilibrium constitutes a major challenge for all known computational methods. We investigate the utility of Tree Tensor Network (TTN) states to solve the…

Quantum Physics · Physics 2025-05-13 Wladislaw Krinitsin , Niklas Tausendpfund , Markus Heyl , Matteo Rizzi , Markus Schmitt

The NTMpy code package allows for simulating the one-dimensional thermal response of multilayer samples after optical excitation, as in a typical pump-probe experiment. Several Python routines are combined and optimized to solve coupled…

Other Condensed Matter · Physics 2021-05-19 Lukas Alber , Valentino Scalera , Vivek Unikandanunni , Daniel Schick , Stefano Bonetti

Tensor Networks (TNs) are a computational paradigm used for representing quantum many-body systems. Recent works have shown how TNs can also be applied to perform Machine Learning (ML) tasks, yielding comparable results to standard…

High Energy Physics - Experiment · Physics 2024-09-26 Lorenzo Borella , Alberto Coppi , Jacopo Pazzini , Andrea Stanco , Marco Trenti , Andrea Triossi , Marco Zanetti

Due to the cost of developing and training deep learning models from scratch, machine learning engineers have begun to reuse pre-trained models (PTMs) and fine-tune them for downstream tasks. PTM registries known as "model hubs" support…

In this technical paper we introduce the Tensor Network Theory (TNT) library -- an open-source software project aimed at providing a platform for rapidly developing robust, easy to use and highly optimised code for TNT calculations. The…

Quantum Physics · Physics 2017-10-11 Sarah Al-Assam , Stephen R. Clark , Dieter Jaksch

We present an object-oriented open-source framework for solving the dynamics of open quantum systems written in Python. Arbitrary Hamiltonians, including time-dependent systems, may be built up from operators and states defined by a quantum…

Quantum Physics · Physics 2012-04-27 J. R. Johansson , P. D. Nation , Franco Nori

The Hofstadter model successfully describes the behavior of non-interacting quantum particles hopping on a lattice coupled to a gauge field, and hence is ubiquitous in many fields of research, including condensed matter, optical, and atomic…

Mesoscale and Nanoscale Physics · Physics 2024-03-28 Bartholomew Andrews

Tree tensor network states (TTNSs) combined with the density matrix renormalization group (DMRG) are emerging as powerful tools for vibrational and vibronic structure simulations in molecules with strong coupling and fluxionality. In this…

Chemical Physics · Physics 2026-05-28 Henrik R. Larsson , Brieuc Le Dé , Gino E. Gamboni