Publications

Order by: publication date number of citations

• kdotpy: k·p theory on a lattice for simulating semiconductor band structures

  Wouter Beugeling, Florian Bayer, Christian Berger, Jan Böttcher, Leonid Bovkun, Christopher Fuchs, Maximilian Hofer, Saquib Shamim, Moritz Siebert, Li-Xian Wang, Ewelina M. Hankiewicz, Tobias Kießling, Hartmut Buhmann, Laurens W. Molenkamp

  SciPost Phys. Codebases 47 (2025) · published 28 January 2025 | Toggle abstract · pdf

  The software project kdotpy provides a Python application for simulating electronic band structures of semiconductor devices with k·p theory on a lattice. The application implements the widely used Kane model, capable of reliable predictions of transport and optical properties for a large variety of topological and non-topological materials with a zincblende crystal structure. The application automates the tedious steps of simulating band structures. The user inputs the relevant physical parameters on the command line, for example materials and dimensions of the device, magnetic field, and temperature. The program constructs the appropriate matrix Hamiltonian on a discretized lattice of spatial coordinates and diagonalizes it. The physical observables are extracted from the eigenvalues and eigenvectors and saved as output. The program is highly customizable with a large set of configuration options and material parameters.

  5 citations

• Codebase release 1.0 for kdotpy

  Wouter Beugeling, Florian Bayer, Christian Berger, Jan Böttcher, Leonid Bovkun, Christopher Fuchs, Maximilian Hofer, Saquib Shamim, Moritz Siebert, Li-Xian Wang, Ewelina M. Hankiewicz, Tobias Kießling, Hartmut Buhmann, Laurens W. Molenkamp

  SciPost Phys. Codebases 47-r1.0 (2025) · published 28 January 2025 | Toggle abstract · src

  The software project kdotpy provides a Python application for simulating electronic band structures of semiconductor devices with k·p theory on a lattice. The application implements the widely used Kane model, capable of reliable predictions of transport and optical properties for a large variety of topological and non-topological materials with a zincblende crystal structure. The application automates the tedious steps of simulating band structures. The user inputs the relevant physical parameters on the command line, for example materials and dimensions of the device, magnetic field, and temperature. The program constructs the appropriate matrix Hamiltonian on a discretized lattice of spatial coordinates and diagonalizes it. The physical observables are extracted from the eigenvalues and eigenvectors and saved as output. The program is highly customizable with a large set of configuration options and material parameters.

  1 citation

• Studying the 3d Ising surface CFTs on the fuzzy sphere

  Zheng Zhou, Yijian Zou

  SciPost Phys. 18, 031 (2025) · published 24 January 2025 | Toggle abstract · pdf

  Boundaries not only are fundamental elements in nearly all realistic physical systems, but also greatly enrich the structure of quantum field theories. In this paper, we demonstrate that conformal field theory (CFT) with a boundary, known as surface CFT in three dimensions, can be studied with the setup of fuzzy sphere. We consider the example of surface criticality of the 3D Ising CFT. We propose two schemes by cutting a boundary in the orbital space or the real space to realise the ordinary and the normal surface CFTs on the fuzzy sphere. We obtain the operator spectra through state-operator correspondence. We observe integer spacing of the conformal multiplets, and thus provide direct evidence of conformal symmetry. We identify the ordinary surface primary $o$, the displacement operator $\mathrm{D}$ and their conformal descendants and extract their scaling dimensions. We also study the one-point and two-point correlation functions and extract the bulk-to-surface OPE coefficients, some of which are reported for the first time. In addition, using the overlap of the bulk CFT state and the polarised state, we calculate the boundary central charges of the 3D Ising surface CFTs non-perturbatively. Other conformal data obtained in this way also agrees with prior methods.

  12 citations

• QDsim: A user-friendly toolbox for simulating large-scale quantum dot devices

  Valentina Gualtieri, Charles Renshaw-Whitman, Vinicius Hernandes, Eliska Greplova

  SciPost Phys. Codebases 46 (2025) · published 23 January 2025 | Toggle abstract · pdf

  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 from which we rephrase the task of finding the lowest energy charge configuration as a convex optimization problem. Therefore, we can leverage the existing package CVXPY, in combination with an appropriate powerful solver, for the convex optimization which streamlines the creation of stability diagrams and polytopes. Through multiple examples, we demonstrate how QDsim enables the generation of large-scale dataset that can serve a basis for the training of machine-learning models for automated tuning algorithms. While the package currently does not support quantum effects beyond the constant interaction model, QDsim is a tool that directly addresses the critical need for cost-effective and expeditious data acquisition for better tuning algorithms in order to accelerate the development of semiconductor quantum devices.

  1 citation

• Codebase release 1.1 for QDsim

  Valentina Gualtieri, Charles Renshaw-Whitman, Vinicius Hernandes, Eliska Greplova

  SciPost Phys. Codebases 46-r1.1 (2025) · published 23 January 2025 | Toggle abstract · src

  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 from which we rephrase the task of finding the lowest energy charge configuration as a convex optimization problem. Therefore, we can leverage the existing package CVXPY, in combination with an appropriate powerful solver, for the convex optimization which streamlines the creation of stability diagrams and polytopes. Through multiple examples, we demonstrate how QDsim enables the generation of large-scale dataset that can serve a basis for the training of machine-learning models for automated tuning algorithms. While the package currently does not support quantum effects beyond the constant interaction model, QDsim is a tool that directly addresses the critical need for cost-effective and expeditious data acquisition for better tuning algorithms in order to accelerate the development of semiconductor quantum devices.

  1 citation

• Insulator phases of Bose-Fermi mixtures induced by intraspecies next-neighbor interactions

  Felipe Gómez-Lozada, Roberto Franco, Jereson Silva-Valencia

  SciPost Phys. Core 8, 007 (2025) · published 21 January 2025 | Toggle abstract · pdf

  We study a one-dimensional mixture of two-color fermions and scalar bosons at the hardcore limit, focusing on the effect that the intraspecies next-neighbor interactions have on the zero-temperature ground state of the system for different fillings of each carrier. Exploring the problem's parameters, we observed that the nearest-neighbor interaction could favor or harm the well-known mixed Mott and spin-selective Mott insulators. We also found the emergence of three unusual insulating states with charge density wave (CDW) structures in which the orders of the carriers are out of phase between each other. For instance, the immiscible CDW appears only at half-filling bosonic density, whereas the mixed CDW state is characterized by equal densities of bosons and fermions. Finally, the spin-selective CDW couples the bosons and only one kind of fermions. Appropriate order parameters were proposed for each phase to obtain the critical parameters for the corresponding superfluid-insulator transition. Our results can inspire or contribute to understanding experiments in cold-atom setups with long-range interactions or recent reports involving quasiparticles in semiconductor heterostructures.

  2 citations

• Understanding and utilizing the inner bonds of process tensors

  Moritz Cygorek, Erik M. Gauger

  SciPost Phys. 18, 024 (2025) · published 20 January 2025 | Toggle abstract · pdf

  Process tensor matrix product operators (PT-MPOs) enable numerically exact simulations for an unprecedentedly broad range of open quantum systems. By representing environment influences in MPO form, they can be efficiently compressed using established algorithms. The dimensions of inner bonds of the compressed PT-MPO may be viewed as an indicator of the complexity of the environment. Here, we show that the inner bonds themselves, not only their dimensions, have a concrete physical meaning: They represent the subspace of the full environment Liouville space which hosts environment excitations that may influence the subsequent open quantum systems dynamics the most. This connection can be expressed in terms of lossy linear transformations, whose pseudoinverses facilitate the extraction of environment observables. We demonstrate this by extracting the environment spin of a central spin problem, the current through a quantum system coupled to two leads, the number of photons emitted from quantum emitters into a structured environment, and the distribution of the total absorbed energy in a driven non-Markovian quantum system into system, environment, and interaction energy terms. Numerical tests further indicate that different PT-MPO algorithms compress environments to similar subspaces. Thus, the physical interpretation of inner bonds of PT-MPOs both provides a conceptional understanding and it enables new practical applications.

  2 citations

• Fermionic tensor network methods

  Quinten Mortier, Lukas Devos, Lander Burgelman, Bram Vanhecke, Nick Bultinck, Frank Verstraete, Jutho Haegeman, Laurens Vanderstraeten

  SciPost Phys. 18, 012 (2025) · published 10 January 2025 | Toggle abstract · pdf

  We show how fermionic statistics can be naturally incorporated in tensor networks on arbitrary graphs through the use of graded Hilbert spaces. This formalism allows the use of tensor network methods for fermionic lattice systems in a local way, avoiding the need of a Jordan-Wigner transformation or the explicit tracking of leg crossings by swap gates in 2D tensor networks. The graded Hilbert spaces can be readily integrated with other internal and lattice symmetries, and only require minor extensions to an existing tensor network software package. We review and benchmark the fermionic versions of common algorithms for matrix product states and projected entangled-pair states.

  7 citations

• Universal performance gap of neural quantum states applied to the Hofstadter-Bose-Hubbard model

  Eimantas Ledinauskas, Egidijus Anisimovas

  SciPost Phys. 18, 011 (2025) · published 10 January 2025 | Toggle abstract · pdf

  Neural Quantum States (NQS) have demonstrated significant potential in approximating ground states of many-body quantum systems, though their performance can be inconsistent across different models. This study investigates the performance of NQS in approximating the ground state of the Hofstadter-Bose-Hubbard (HBH) model, an interacting boson system on a two-dimensional square lattice with a perpendicular magnetic field. Our results indicate that increasing magnetic flux leads to a substantial increase in energy error, up to three orders of magnitude. Importantly, this decline in NQS performance is consistent across different optimization methods, neural network architectures, and physical model parameters, suggesting a significant challenge intrinsic to the model. Despite investigating potential causes such as wave function phase structure, quantum entanglement, fractional quantum Hall effect, and the variational loss landscape, the precise reasons for this degradation remain elusive. The HBH model thus proves to be an effective testing ground for exploring the capabilities and limitations of NQS. Our study highlights the need for advanced theoretical frameworks to better understand the expressive power of NQS which would allow a systematic development of methods that could potentially overcome these challenges.

• Excitonic Bloch equations from first principles

  Gianluca Stefanucci, Enrico Perfetto

  SciPost Phys. 18, 009 (2025) · published 9 January 2025 | Toggle abstract · pdf

  The ultrafast conversion of coherent excitons into incoherent excitons, as well as the subsequent exciton diffusion and thermalization, are central topics in current scientific research due to their relevance in optoelectronics, photovoltaics and photocatalysis. Current approaches to the exciton dynamics rely on model Hamiltonians that depend on already screened electron-electron and electron-phonon couplings. In this work, we subject the state-of-the-art methods to scrutiny using the ab initio Hamiltonian for electrons and phonons. We offer a rigorous and intuitive proof demonstrating that the exciton dynamics governed by model Hamiltonians is affected by an overscreening of the electron-phonon interaction. The introduction of an auxiliary exciton species, termed the irreducible exciton, enables us to formulate a theory free from overscreening and derive the excitonic Bloch equations. These equations describe the time-evolution of coherent, irreducible, and incoherent excitons during and after the optical excitation. They are applicable beyond the linear regime, and predict that the total number of excitons is preserved when the external fields are switched off.

  5 citations