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This paper is the documentation for a numerical code for quantum transport called KNIT. The KNIT library implements a generalization of the well known recursive Green function technique for a large class of multi-terminal mesoscopic systems…

Mesoscale and Nanoscale Physics · Physics 2010-10-14 Irina Rychkova , Valentin Rychkov , Kyryl Kazymyrenko , Simone Borlenghi , Xavier Waintal

We propose a multi-particle self-consistent Hamiltonian (derived from an N-body description) that is applicable for periodic structures such as traveling-wave tubes (TWTs), gyrotrons, free-electron lasers, or particle accelerators. We build…

Hadron wavepackets are prepared and time evolved in the Schwinger model using 112 qubits of IBM's 133-qubit Heron quantum computer ibm_torino. The initialization of the hadron wavepacket is performed in two steps. First, the vacuum is…

Quantum Physics · Physics 2024-06-12 Roland C. Farrell , Marc Illa , Anthony N. Ciavarella , Martin J. Savage

Wave packets provide a well established and versatile tool for studying time-dependent effects in molecular physics. Here, we demonstrate the application of wave packets to mesoscopic nanodevices at low temperatures. The electronic…

Mesoscale and Nanoscale Physics · Physics 2010-09-09 Tobias Kramer , Christoph Kreisbeck , Viktor Krueckl

Tensor network algorithms can efficiently simulate complex quantum many-body systems by utilizing knowledge of their structure and entanglement. These methodologies have been adapted recently for solving the Navier-Stokes equations, which…

States of quantum many-body systems are defined in a high-dimensional Hilbert space, where rich and complex interactions among subsystems can be modelled. In machine learning, complex multiple multilinear correlations may also exist within…

Machine Learning · Computer Science 2022-08-03 Yiwei Chen , Yu Pan , Daoyi Dong

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

We present a time-linear scaling method to simulate open and correlated quantum systems out of equilibrium. The method inherits from many-body perturbation theory the possibility to choose selectively the most relevant scattering processes…

Mesoscale and Nanoscale Physics · Physics 2025-06-10 R. Tuovinen , Y. Pavlyukh , E. Perfetto , G. Stefanucci

This paper discusses the technical aspects - mathematical and numerical - associated with the numerical simulations of a mesoscopic system in the time domain (i.e. beyond the single frequency AC limit). After a short review of the state of…

Mesoscale and Nanoscale Physics · Physics 2014-04-04 Benoit Gaury , Joseph Weston , Matthieu Santin , Manuel Houzet , Christoph Groth , Xavier Waintal

Nonlinear filtering with correlated noise leads to a Duncan-Mortensen-Zakai (DMZ) equation in the form of a stochastic partial differential equation (SPDE). Unlike the independent noise case, the presence of correlation prevents the…

Numerical Analysis · Mathematics 2026-05-26 Yuhua Meng , Stephen S. -T. Yau , Zhiwen Zhang

An increasing amount of collected data are high-dimensional multi-way arrays (tensors), and it is crucial for efficient learning algorithms to exploit this tensorial structure as much as possible. The ever-present curse of dimensionality…

Machine Learning · Computer Science 2021-08-04 Kirandeep Kour , Sergey Dolgov , Martin Stoll , Peter Benner

The Python package pylimer-tools is a comprehensive toolkit for computational studies of polymer networks, particularly bead-spring networks. The package provides functionality to generate polymer networks using Monte Carlo (MC) procedures…

Soft Condensed Matter · Physics 2025-08-18 Tim Bernhard , Fabian Schwarz , Andrei A. Gusev

With the advent of GPU-assisted hardware and maturing high-efficiency software platforms such as TensorFlow and PyTorch, Bayesian posterior sampling for neural networks becomes plausible. In this article we discuss Bayesian parametrization…

Statistics Theory · Mathematics 2020-03-05 Frederik Heber , Zofia Trstanova , Benedict Leimkuhler

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

QAssemble is a pure-Python package for the quantum many-body problem. It implements various functional approaches, such as tight-binding, Hartree-Fock, and GW approximations within a unified object-oriented architecture. Each physical…

Strongly Correlated Electrons · Physics 2026-04-27 Seongjun Mo , Dongming Li , Mancheon Han , Johan Jönsson , Byungkyun Kang , Hoonkyung Lee , Gabriel Kotliar , Sangkook Choi

I present a Python package developed for fitting Voigt profiles to absorption lines. The software fits multiple components for various atomic lines simultaneously allowing parameters to be tied and fixed. Moreover, the code is able to…

Instrumentation and Methods for Astrophysics · Physics 2018-03-06 Jens-Kristian Krogager

SporTran is a Python utility designed to estimate generic transport coefficients in extended systems, based on the Green-Kubo theory of linear response and the recently introduced cepstral analysis of the current time series generated by…

Computational Physics · Physics 2022-08-17 Loris Ercole , Riccardo Bertossa , Sebastiano Bisacchi , Stefano Baroni

We introduce QSTToolkit, a Python library for performing quantum state tomography (QST) on optical quantum state measurement data. The toolkit integrates traditional Maximum Likelihood Estimation (MLE) with deep learning-based techniques to…

Quantum Physics · Physics 2025-03-19 George FitzGerald , Will Yeadon

Matrix Product States (MPS), also known as Tensor Train (TT) decomposition in mathematics, has been proposed originally for describing an (especially one-dimensional) quantum system, and recently has found applications in various…

Statistical Mechanics · Physics 2018-12-14 Zhuan Li , Pan Zhang

Recent years have seen rapid advances in the data-driven analysis of dynamical systems based on Koopman operator theory and related approaches. On the other hand, low-rank tensor product approximations -- in particular the tensor train (TT)…

Numerical Analysis · Mathematics 2021-08-11 Feliks Nüske , Patrick Gelß , Stefan Klus , Cecilia Clementi
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