Publications

Order by: publication date number of citations

• Codebase release 2.4 for ALF (Algorithms for Lattice Fermions)

  F. F. Assaad, M. Bercx, F. Goth, A. Götz, J. S. Hofmann, E. Huffman, Z. Liu, F. Parisen Toldin, J. S. E. Portela, J. Schwab

  SciPost Phys. Codebases 1-r2.4 (2025) · published 27 November 2025 | Toggle abstract · src

  The Algorithms for Lattice Fermions package provides a general code for the finite-temperature and projective auxiliary-field quantum Monte Carlo algorithm. The code is engineered to be able to simulate any model that can be written in terms of sums of single-body operators, of squares of single-body operators and single-body operators coupled to a bosonic field with given dynamics. The package includes five pre-defined model classes: SU(N) Kondo, SU(N) Hubbard, SU(N) t-V and SU(N) models with long range Coulomb repulsion on honeycomb, square and N-leg lattices, as well as $Z_2$ unconstrained lattice gauge theories coupled to fermionic and $Z_2$ matter. An implementation of the stochastic Maximum Entropy method is also provided. One can download the code from our Git instance at https://git.physik.uni-wuerzburg.de/ALF/ALF/-/tree/ALF-2.4 and sign in to file issues.

  1 citation

• Quasi-particle functional renormalisation group calculations in the two-dimensional t-t'-Hubbard model

  Daniel Rohe

  SciPost Phys. 15, 192 (2023) · published 13 November 2023 | Toggle abstract · pdf

  We extend and apply a recently introduced quasi-particle functional renormalisation group scheme to the two-dimensional Hubbard model with next-nearest-neighbour hopping and away from half filling. We confirm the generation of superconducting correlations in some regions of the phase diagram, but also find that the inclusion of self-energy feedback by means of a decreasing quasi-particle weight can suppress superconducting tendencies more than anti-ferromagnetic correlations by which they are generated. As a supplement, we provide sample results for the self-energy in second-order perturbation theory and address some conceptual matters.

  1 citation

• Codebase release 0.56 for TorchGDM

  Sofia Ponomareva, Adelin Patoux, Clément Majorel, Antoine Azéma, Aurélien Cuche, Christian Girard, Arnaud Arbouet, Peter R. Wiecha

  SciPost Phys. Codebases 60-r0.56 (2025) · published 22 October 2025 | Toggle abstract · src

  We present "torchGDM", a numerical framework for nano-optical simulations based on the Green's Dyadic Method (GDM). This toolkit combines a hybrid approach, allowing for both fully discretized nano-structures and structures approximated by sets of effective electric and magnetic dipoles. It supports simulations in three dimensions and for infinitely long, two-dimensional structures. This capability is particularly suited for multi-scale modeling, enabling accurate near-field calculations within or around a discretized structure embedded in a complex environment of scatterers represented by effective models. Importantly, torchGDM is entirely implemented in PyTorch, a well-optimized and GPU-enabled automatic differentiation framework. This allows for the efficient calculation of exact derivatives of any simulated observable with respect to various inputs, including positions, wavelengths or permittivity, but also intermediate parameters like Green's tensor components, which can be interesting for physics informed deep learning applications. We anticipate that this toolkit will be valuable for applications merging nano-photonics and machine learning, as well as for solving nano-photonic optimization and inverse problems, such as the global design and characterization of metasurfaces, where optical interactions between structures are critical.

  1 citation

• Floquet fractional Chern insulators and competing phases in twisted bilayer graphene

  Peng-Sheng Hu, Yi-Han Zhou, Zhao Liu

  SciPost Phys. 15, 148 (2023) · published 10 October 2023 | Toggle abstract · pdf

  We study the many-body physics in twisted bilayer graphene coupled to periodic driving of a circularly polarized light when electron-electron interactions are taken into account. In the limit of high driving frequency $\Omega$, we use Floquet theory to formulate the system by an effective static Hamiltonian truncated to the order of $\Omega^{-2}$, which consists of a single-electron part and the screened Coulomb interaction. We numerically simulate this effective Hamiltonian by extensive exact diagonalization in the parameter space spanned by the twist angle and the driving strength. Remarkably, in a wide region of the parameter space, we identify Floquet fractional Chern insulator states in the partially filled Floquet valence bands. We characterize these topologically ordered states by ground-state degeneracy, spectral flow, and entanglement spectrum. In regions of the parameter space where fractional Chern insulator states are absent, we find topologically trivial charge density waves and band-dispersion-induced Fermi liquids which strongly compete with fractional Chern insulator states.

  1 citation

• Unambiguous simulation of diffusive charge transport in disordered nanoribbons

  Henrique Pina Veiga, Simão Meneses João, João Manuel Alendouro Pinho, João Pedro Santos Pires, João Manuel Viana Parente Lopes

  SciPost Phys. 17, 149 (2024) · published 3 December 2024 | Toggle abstract · pdf

  Charge transport in disordered two-dimensional (2D) systems showcases a myriad of unique phenomenologies that highlight different aspects of the underlying quantum dynamics. Electrons in such systems undergo a crossover from ballistic propagation to Anderson localization, contingent on the system's effective coherence length. Between the extended and localized phases lies a diffusive crossover in which the charge conductivity is properly defined. The numerical observation of this regime has remained elusive because it requires fully coherent transport to be simulated in systems whose dimensions are sufficiently large to meaningfully split the mean-free path and localization length scales. To address this challenge, we employed a novel linear scaling time-resolved approach that enabled us to derive the dc-transport characteristics and observe the three expected 2D transport regimes — ballistic, diffusive, and localized.

  1 citation

• calcQPI: A versatile tool to simulate quasiparticle interference

  Peter Wahl, Luke C. Rhodes, Carolina A. Marques

  SciPost Phys. Codebases 61 (2025) · published 5 November 2025 | Toggle abstract · pdf

  Quasiparticle interference imaging (QPI) provides a route to characterize electronic structure from real space images acquired using scanning tunneling microscopy. It emerges due to scattering of electrons at defects in the material. The QPI patterns encode details of the $k$-space electronic structure and its spin and orbital texture. Recovering this information from a measurement of QPI is non-trivial, requiring modelling not only of the dominant scattering vectors, but also the overlap of the wave functions with the tip of the microscope. While, in principle, it is possible to model QPI from density functional theory (DFT) calculations, for many quantum materials it is more desirable to model the QPI from a tight-binding model, where inaccuracies of the DFT calculation can be corrected. Here, we introduce an efficient code to simulate quasiparticle interference from tight-binding models using the continuum Green's function method.

  1 citation

• Photon pumping, photodissociation and dissipation at interplay for the fluorescence of a molecule in a cavity

  Megha Gopalakrishna, Emil Viñas Boström, Claudio Verdozzi

  SciPost Phys. 15, 138 (2023) · published 5 October 2023 | Toggle abstract · pdf

  We introduce a model description of a diatomic molecule in an optical cavity, with pump and fluorescent fields, and electron and nuclear motion are treated on equal footing and exactly. The model accounts for several optical response temporal scenarios: A Mollow spectrum hindered by electron correlations, a competition of harmonic generation and molecular dissociation, a dependence of fluorescence on photon pumping rate and dissipation. It is thus a general and flexible template for insight into experiments where quantum photon confinement, leakage, nuclear motion and electronic correlations are at interplay.

  1 citation

• Dynamics of systems with varying number of particles: From Liouville equations to general master equations for open systems

  Mauricio J. del Razo, Luigi Delle Site

  SciPost Phys. 18, 001 (2025) · published 6 January 2025 | Toggle abstract · pdf

  A varying number of particles is one of the most relevant characteristics of systems of interest in nature and technology, ranging from the exchange of energy and matter with the surrounding environment to the change of particle number through internal dynamics such as reactions. The physico-mathematical modeling of these systems is extremely challenging, with the major difficulty being the time dependence of the number of degrees of freedom and the additional constraint that the increment or reduction of the number and species of particles must not violate basic physical laws. Theoretical models, in such a case, represent the key tool for the design of computational strategies for numerical studies that deliver trustful results. In this manuscript, we review complementary physico-mathematical approaches of varying number of particles inspired by rather different specific numerical goals. As a result of the analysis on the underlying common structure of these models, we propose a unifying master equation for general dynamical systems with varying number of particles. This equation embeds all the previous models and can potentially model a much larger range of complex systems, ranging from molecular to social agent-based dynamics.

  1 citation

• Codebase release 3.44 for xSPDE

  Simon Kiesewetter, Ria R. Joseph, Peter D. Drummond

  SciPost Phys. Codebases 17-r3.44 (2023) · published 2 October 2023 | Toggle abstract · src

  The xSPDE toolbox treats stochastic partial and ordinary differential equations, with applications in biology, chemistry, engineering, medicine, physics and quantum technologies. It computes statistical averages, including time-step and/or sampling error estimation. xSPDE can provide higher order convergence, Fourier spectra and probability densities. The toolbox has graphical output and $\chi^{2}$ statistics, as well as weighted, projected, or forward-backward equations. It can generate input-output quantum spectra. All equations may have independent periodic, Dirichlet, and Neumann or Robin boundary conditions in any dimension, for any vector field component, and at either end of any interval.

  1 citation

• The ALF (Algorithms for Lattice Fermions) project release 2.4. Documentation for the auxiliary-field quantum Monte Carlo code

  F. F. Assaad, M. Bercx, F. Goth, A. Götz, J. S. Hofmann, E. Huffman, Z. Liu, F. Parisen Toldin, J. S. E. Portela, J. Schwab

  SciPost Phys. Codebases 1-v2.4 (2025) · published 27 November 2025 · licensed under CC BY-SA (4.0) | Toggle abstract · pdf

  The Algorithms for Lattice Fermions package provides a general code for the finite-temperature and projective auxiliary-field quantum Monte Carlo algorithm. The code is engineered to be able to simulate any model that can be written in terms of sums of single-body operators, of squares of single-body operators and single-body operators coupled to a bosonic field with given dynamics. The package includes five pre-defined model classes: SU(N) Kondo, SU(N) Hubbard, SU(N) t-V and SU(N) models with long range Coulomb repulsion on honeycomb, square and N-leg lattices, as well as $Z_2$ unconstrained lattice gauge theories coupled to fermionic and $Z_2$ matter. An implementation of the stochastic Maximum Entropy method is also provided. One can download the code from our Git instance at https://git.physik.uni-wuerzburg.de/ALF/ALF/-/tree/ALF-2.4 and sign in to file issues.

  1 citation