Publications

Order by: publication date number of citations

• A Python GPU-accelerated solver for the Gross-Pitaevskii equation and applications to many-body cavity QED

  Lorenzo Fioroni, Luca Gravina, Justyna Stefaniak, Alexander Baumgärtner, Fabian Finger, Davide Dreon, Tobias Donner

  SciPost Phys. Codebases 38 (2024) · published 6 November 2024 | Toggle abstract · pdf

  TorchGPE is a general-purpose Python package developed for solving the Gross-Pitaevskii equation (GPE). This solver is designed to integrate wave functions across a spectrum of linear and non-linear potentials. A distinctive aspect of TorchGPE is its modular approach, which allows the incorporation of arbitrary self-consistent and time-dependent potentials, e.g., those relevant in many-body cavity QED models. The package employs a symmetric split-step Fourier propagation method, effective in both real and imaginary time. In our work, we demonstrate a significant improvement in computational efficiency by leveraging GPU computing capabilities. With the integration of the latter technology, TorchGPE achieves a substantial speed-up with respect to conventional CPU-based methods, greatly expanding the scope and potential of research in this field.

  3 citations

• QArray: A GPU-accelerated constant capacitance model simulator for large quantum dot arrays

  Barnaby van Straaten, Joseph Hickie, Lucas Schorling, Jonas Schuff, Federico Fedele, Natalia Ares

  SciPost Phys. Codebases 35 (2024) · published 21 October 2024 | Toggle abstract · pdf

  Semiconductor quantum dot arrays are a leading architecture for the development of quantum technologies. Over the years, the constant capacitance model has served as a fundamental framework for simulating, understanding, and navigating the charge stability diagrams of small quantum dot arrays. However, while the size of the arrays keeps growing, solving the constant capacitance model becomes computationally prohibitive. This paper presents an open-source software package able to compute a $100 × 100$ pixels charge stability diagram of a 16-dot array in less than a second. Smaller arrays can be simulated in milliseconds - faster than they could be measured experimentally, enabling the creation of diverse datasets for training machine learning models and the creation of digital twins that can interface with quantum dot devices in real-time. Our software package implements its core functionalities in the systems programming language Rust and the high-performance numerical computing library JAX. The Rust implementation benefits from advanced optimisations and parallelisation, enabling the users to take full advantage of multi-core processors. The JAX implementation allows for GPU acceleration.

  3 citations

• Codebase release 1.3 for QArray

  Barnaby van Straaten, Joseph Hickie, Lucas Schorling, Jonas Schuff, Federico Fedele, Natalia Ares

  SciPost Phys. Codebases 35-r1.3 (2024) · published 21 October 2024 | Toggle abstract · src

  Semiconductor quantum dot arrays are a leading architecture for the development of quantum technologies. Over the years, the constant capacitance model has served as a fundamental framework for simulating, understanding, and navigating the charge stability diagrams of small quantum dot arrays. However, while the size of the arrays keeps growing, solving the constant capacitance model becomes computationally prohibitive. This paper presents an open-source software package able to compute a $100 × 100$ pixels charge stability diagram of a 16-dot array in less than a second. Smaller arrays can be simulated in milliseconds - faster than they could be measured experimentally, enabling the creation of diverse datasets for training machine learning models and the creation of digital twins that can interface with quantum dot devices in real-time. Our software package implements its core functionalities in the systems programming language Rust and the high-performance numerical computing library JAX. The Rust implementation benefits from advanced optimisations and parallelisation, enabling the users to take full advantage of multi-core processors. The JAX implementation allows for GPU acceleration.

  2 citations

• EMRI_MC: A GPU-based code for Bayesian inference of EMRI waveforms

  Ippocratis D. Saltas, Roberto Oliveri

  SciPost Phys. Codebases 44 (2025) · published 16 January 2025 | Toggle abstract · pdf

  We describe a simple and efficient Python code to perform Bayesian forecasting for gravitational waves (GW) produced by Extreme-Mass-Ratio-Inspiral systems (EMRIs). The code runs on GPUs for an efficient parallelised computation of thousands of waveforms and sampling of the posterior through a Markov-Chain-Monte-Carlo (MCMC) algorithm. EMRI_MC generates EMRI waveforms based on the so-called kludge scheme, and propagates it to the observer accounting for cosmological effects in the observed waveform due to modified gravity/dark energy. The code provides a helpful resource for forecasts for interferometry missions in the milli-Hz scale, e.g the satellite-mission LISA.

  2 citations

• Codebase release r1.0 for disorder

  Alexander Karlberg

  SciPost Phys. Codebases 32-r1.0 (2024) · published 9 July 2024 | Toggle abstract · src

  We present a Fortran 77/95 code capable of computing QCD corrections in deep inelastic scattering (DIS). The code uses the Projection-to-Born method to augment an existing $\mathcal{O}(\alpha_{\mathrm{s}}^2)$ dijet DIS code, thereby obtaining predictions for photon-mediated neutral-current single-jet DIS production in the laboratory frame. The code is lightweight and fast, and yet includes the most common functionalities found in typical perturbative QCD programs, like automatic renormalisation and factorisation scale uncertainties, options to run and combine multiple seeds, and interfaces to fastjet and LHAPDF. Due to the underlying disent and HOPPET codes, the program also provides stable results in the infrared, relevant for extracting logarithmic coefficients for analytic resummations, and access to the massless DIS structure functions and (reduced) cross sections up to $\mathcal{O}(\alpha_{\mathrm{s}}^3)$.

  2 citations

• Codebase release r1.0 for amcheck

  Andriy Smolyanyuk, Libor Šmejkal, Igor I. Mazin

  SciPost Phys. Codebases 30-r1.0 (2024) · published 12 June 2024 | Toggle abstract · src

  Altermagnets (AM) is a recently discovered class of collinear magnets that share some properties (anomalous transport, etc) with ferromagnets, some (zero net magnetization) with antiferromagnets, while also exhibiting unique properties (spin-splitting of electronic bands and resulting spin-splitter current). Since the moment compensation in AM is driven by symmetry, it must be possible to identify them by analyzing the crystal structure directly, without computing the electronic structure. Given the significant potential of AM for spintronics, it is very useful to have a tool for such an analysis. This work presents an open-access code implementing such a direct check.

  2 citations

• New machine learning techniques for simulation-based inference: InferoStatic nets, kernel score estimation, and kernel likelihood ratio estimation

  Kyoungchul Kong, Konstantin T. Matchev, Stephen Mrenna, Prasanth Shyamsundar

  SciPost Phys. Codebases 14 (2023) · published 7 July 2023 | Toggle abstract · pdf

  We propose an intuitive, machine-learning approach to multiparameter inference, dubbed the InferoStatic Networks (ISN) method, to model the score and likelihood ratio estimators in cases when the probability density can be sampled but not computed directly. The ISN uses a backend neural network that models a scalar function called the inferostatic potential $\varphi$. In addition, we introduce new strategies, respectively called Kernel Score Estimation (KSE) and Kernel Likelihood Ratio Estimation (KLRE), to learn the score and the likelihood ratio functions from simulated data. We illustrate the new techniques with some toy examples and compare to existing approaches in the literature. We mention en passant some new loss functions that optimally incorporate latent information from simulations into the training procedure.

  2 citations

• Codebase release 0.1 for infstat

  Kyoungchul Kong, Konstantin T. Matchev, Stephen Mrenna, Prasanth Shyamsundar

  SciPost Phys. Codebases 14-r0.1 (2023) · published 7 July 2023 | Toggle abstract · src

  We propose an intuitive, machine-learning approach to multiparameter inference, dubbed the InferoStatic Networks (ISN) method, to model the score and likelihood ratio estimators in cases when the probability density can be sampled but not computed directly. The ISN uses a backend neural network that models a scalar function called the inferostatic potential $\varphi$. In addition, we introduce new strategies, respectively called Kernel Score Estimation (KSE) and Kernel Likelihood Ratio Estimation (KLRE), to learn the score and the likelihood ratio functions from simulated data. We illustrate the new techniques with some toy examples and compare to existing approaches in the literature. We mention en passant some new loss functions that optimally incorporate latent information from simulations into the training procedure.

  2 citations

• Codebase release 1.0 for SpinParser

  Finn Lasse Buessen

  SciPost Phys. Codebases 5-r1.0 (2022) · published 24 August 2022 | Toggle abstract · src

  We present the SpinParser open-source software [ https://github.com/fbuessen/SpinParser ]. The software is designed to perform pseudofermion functional renormalization group (pf-FRG) calculations for frustrated quantum magnets in two and three spatial dimensions. It aims to make such calculations readily accessible without the need to write specialized program code; instead, custom lattice graphs and microscopic spin models can be defined as plain-text input files. Underlying symmetries of the model are automatically analyzed and exploited by the numerical core written in C++ in order to optimize the performance across large-scale shared memory and/or distributed memory computing platforms.

  2 citations

• DanceQ: High-performance library for number conserving bases

  Robin Schäfer, David J. Luitz

  SciPost Phys. Codebases 48 (2025) · published 5 February 2025 | Toggle abstract · pdf

  The complexity of quantum many-body problems scales exponentially with the size of the system, rendering any finite-size scaling analysis a formidable challenge. This is particularly true for methods based on the full representation of the wave function, where one simply accepts the enormous Hilbert space dimensions and performs linear algebra operations, e.g., for finding the ground state of the Hamiltonian. If the system satisfies an underlying symmetry where an operator with a degenerate spectrum commutes with the Hamiltonian, it can be block-diagonalized, thus reducing the complexity at the expense of additional bookkeeping. At the most basic level required for Krylov space techniques (like the Lanczos algorithm), it is necessary to implement a matrix-vector product of a block of the Hamiltonian with arbitrary block-wavefunctions, potentially without holding the Hamiltonian block in memory. An efficient implementation of this operation requires the calculation of the position of an arbitrary basis vector in the canonical ordering of the basis of the block. We present here an elegant and powerful, multi-dimensional approach to this problem for the $U(1)$ symmetry appearing in problems with particle number conservation. Our divide-and-conquer algorithm uses multiple subsystems and hence generalizes previous approaches to make them scalable. In addition to the theoretical presentation of our algorithm, we provide DanceQ, a flexible and modern – header only – C++20 implementation to manipulate, enumerate, and map to its index any basis state in a given particle number sector as open source software under https://DanceQ.gitlab.io/danceq.

  2 citations