Publications

Order by: publication date number of citations

• Codebase release 1.2 for YASTN

  Marek M. Rams, Gabriela Wójtowicz, Aritra Sinha, Juraj Hasik

  SciPost Phys. Codebases 52-r1.2 (2025) · published 26 February 2025 | Toggle abstract · src

  We present an open-source tensor network Python library for quantum many-body simulations. At its core is an Abelian-symmetric tensor, implemented as a sparse block structure managed by a logical layer on top of a dense multidimensional array backend. This serves as the basis for higher-level tensor network algorithms operating on matrix product states and projected entangled pair states. An appropriate backend, such as PyTorch, gives direct access to automatic differentiation (AD) for cost-function gradient calculations and execution on GPU and other supported accelerators. We show the library performance in simulations with infinite projected entangled-pair states, such as finding the ground states with AD and simulating thermal states of the Hubbard model via imaginary time evolution. For these challenging examples, we identify and quantify sources of the numerical advantage exploited by the symmetric-tensor implementation.

  4 citations

• Rapid detection of phase transitions from Monte Carlo samples before equilibrium

  Jiewei Ding, Ho-Kin Tang, Wing Chi Yu

  SciPost Phys. 13, 057 (2022) · published 9 September 2022 | Toggle abstract · pdf

  We found that Bidirectional LSTM and Transformer can classify different phases of condensed matter models and determine the phase transition points by learning features in the Monte Carlo raw data before equilibrium. Our method can significantly reduce the time and computational resources required for probing phase transitions as compared to the conventional Monte Carlo simulation. We also provide evidence that the method is robust and the performance of the deep learning model is insensitive to the type of input data (we tested spin configurations of classical models and green functions of a quantum model), and it also performs well in detecting Kosterlitz–Thouless phase transitions.

  4 citations

• Codebase release 1.5 for PauliStrings.jl

  Nicolas Loizeau, J. Clayton Peacock, Dries Sels

  SciPost Phys. Codebases 54-r1.5 (2025) · published 24 March 2025 | Toggle abstract · src

  We present the Julia package PauliStrings.jl for quantum many-body simulations, which performs fast operations on the Pauli group by encoding Pauli strings in binary. All of the Pauli string algebra is encoded into low-level logic operations on integers, and is made efficient by various truncation methods which allow for systematic extrapolation of the results. We illustrate the effectiveness of our package by (i) performing Heisenberg time evolution through direct numerical integration and (ii) by constructing a Liouvillian Krylov space. We benchmark the results against tensor network methods, and we find our package performs favorably. In addition, we show that this representation allows for easy encoding of any geometry. We present results for chaotic and integrable spin systems in 1D as well as some examples in 2D. Currently, the main limitations are the inefficiency of representing non-trivial pure states (or other low-rank operators), as well as the need to introduce dissipation to probe long-time dynamics.

  4 citations

• Formation of CuO$_2$ sublattices by suppression of interlattice correlations in tetragonal CuO

  Max Bramberger, Benjamin Bacq-Labreuil, Martin Grundner, Silke Biermann, Ulrich Schollwöck, Sebastian Paeckel, Benjamin Lenz

  SciPost Phys. 14, 010 (2023) · published 31 January 2023 | Toggle abstract · pdf

  We investigate the tetragonal phase of the binary transition metal oxide CuO (t-CuO) within the context of cellular dynamical mean-field theory. Due to its strong antiferromagnetic correlations and simple structure, analysing the physics of t-CuO is of high interest as it may pave the way towards a more complete understanding of high-temperature superconductivity in hole-doped antiferromagnets. In this work we give a formal justification for the weak-coupling assumption that has previously been made for the interconnected sublattices within a single layer of t-CuO by studying the non-local self-energies of the system. We compute momentum-resolved spectral functions using a Matrix Product State (MPS)-based impurity solver directly on the real axis, which does not require any numerically ill-conditioned analytic continuation. The agreement with photoemission spectroscopy indicates that a single-band Hubbard model is sufficient to capture the material's low energy physics. We perform calculations on a range of different temperatures, finding two magnetic regimes, for which we identify the driving mechanism behind their respective insulating state. Finally, we show that in the hole-doped regime the sublattice structure of t-CuO has interesting consequences on the symmetry of the superconducting state.

  4 citations

• Design of a Majorana trijunction

  Juan Daniel Torres Luna, Sathish R. Kuppuswamy, Anton R. Akhmerov

  SciPost Phys. 16, 044 (2024) · published 9 February 2024 | Toggle abstract · pdf

  Braiding of Majorana states demonstrates their non-Abelian exchange statistics. One implementation of braiding requires control of the pairwise couplings between all Majorana states in a trijunction device. To have adiabaticity, a trijunction device requires the desired pair coupling to be sufficiently large and the undesired couplings to vanish. In this work, we design and simulate a trijunction device in a two-dimensional electron gas with a focus on the normal region that connects three Majorana states. We use an optimisation approach to find the operational regime of the device in a multi-dimensional voltage space. Using the optimization results, we simulate a braiding experiment by adiabatically coupling different pairs of Majorana states without closing the topological gap. We then evaluate the feasibility of braiding in a trijunction device for different shapes and disorder strengths.

  4 citations

• Critical properties of a comb lattice

  Natalia Chepiga, Steven R. White

  SciPost Phys. 9, 013 (2020) · published 27 July 2020 | Toggle abstract · pdf

  In this paper we study the critical properties of the Heisenberg spin-1/2 model on a comb lattice -- a 1D backbone decorated with finite 1D chains -- the teeth. We address the problem numerically by a comb tensor network that duplicates the geometry of a lattice. We observe a fundamental difference between the states on a comb with even and odd number of sites per tooth, which resembles an even-odd effect in spin-1/2 ladders. The comb with odd teeth is always critical, not only along the teeth, but also along the backbone, which leads to a competition between two critical regimes in orthogonal directions. In addition, we show that in a weak-backbone limit the excitation energy scales as $1/(NL)$, and not as $1/N$ or $1/L$ typical for 1D systems. For even teeth in the weak backbone limit the system corresponds to a collection of decoupled critical chains of length $L$, while in the strong backbone limit, one spin from each tooth forms the backbone, so the effective length of a critical tooth is one site shorter, $L-1$. Surprisingly, these two regimes are connected via a state where a critical chain spans over two nearest neighbor teeth, with an effective length $2L$.

  4 citations

• Phase transitions of wave packet dynamics in disordered non-Hermitian systems

  Helene Spring, Viktor Könye, Fabian A. Gerritsma, Ion Cosma Fulga, Anton R. Akhmerov

  SciPost Phys. 16, 120 (2024) · published 3 May 2024 | Toggle abstract · pdf

  Disorder can localize the eigenstates of one-dimensional non-Hermitian systems, leading to an Anderson transition with a critical exponent of 1. We show that, due to the lack of energy conservation, the dynamics of individual, real-space wave packets follows a different behavior. Both transitions between localization and unidirectional amplification, as well as transitions between distinct propagating phases become possible. The critical exponent of the transition is close to 1/2 in propagating-propagating and (de)localization transitions.

  4 citations

• Codebase release 4.0 for QSpace

  Andreas Weichselbaum

  SciPost Phys. Codebases 40-r4.0 (2024) · published 14 November 2024 | Toggle abstract · src

  This is the documentation for the tensor library QSpace (v4.0) that provides a toolbox to exploit 'quantum symmetry spaces' in tensor network states in the quantum many-body context. QSpace permits arbitrary combinations of symmetries including the Abelian symmetries $\mathbb{Z}_n$ and $U(1)$, as well as all non-Abelian symmetries represented by the simple classical Lie algebras: $A_n$, $B_n$, $C_n$, and $D_n$, or respectively, the special unitary group SU($n$), the odd orthogonal group SO($2n+1$), the symplectic group Sp($2n$), and the even orthogonal group SO($2n$). The code (C++ embedded via the MEX interface into Matlab) is available (https://bitbucket.org/qspace4u) under the Apache 2.0 license. QSpace is designed as a bottom-up approach for non-Abelian symmetries. It starts from the defining representation and the respective Lie algebra. By explicitly computing and tabulating generalized Clebsch-Gordan coefficient tensors, QSpace is versatile in its operations across all symmetries. At the level of an application, much of the symmetry-related details are hidden within the QSpace C++ core libraries. Hence when developing tensor network algorithms with QSpace, these can be coded (nearly) as if there are no symmetries at all, despite being able to fully exploit general non-Abelian symmetries.

  4 citations

• Effect of next-nearest neighbor hopping on the single-particle excitations at finite temperature

  Harun Al Rashid, Dheeraj Kumar Singh

  SciPost Phys. 16, 107 (2024) · published 22 April 2024 | Toggle abstract · pdf

  In the half-filled one-orbital Hubbard model on a square lattice, we study the effect of next-nearest neighbor hopping on the single-particle spectral function at finite temperature using an exact-diagonalization + Monte-Carlo based approach to the simulation process. We find that the pseudogap-like dip, existing in the density of states in between the Néel temperature $T_N$ and a relatively higher temperature scale $T^*$, is accompanied with a significant asymmetry in the hole- and particle-excitation energy along the high-symmetry directions as well as along the normal-state Fermi surface. On moving from ($\pi/2, \pi/2$) toward $(\pi, 0)$ along the normal state Fermi surface, the hole-excitation energy increases, a behavior remarkably similar to what is observed in the $d$-wave state and pseudogap phase of high-$T_c$ cuprates, whereas the particle-excitation energy decreases. The quasiparticle peak height is the largest near ($\pi/2, \pi/2$) whereas it is the smallest near $(\pi, 0)$. These spectral features survive beyond $T_N$. The temperature window $T_N \lesssim T \lesssim T^*$ shrinks with an increase in the next-nearest neighbor hopping, which indicates that the next-nearest neighbor hopping may not be supportive to the pseudogap-like features.

  4 citations

• Transient superconductivity in three-dimensional Hubbard systems by combining matrix-product states and self-consistent mean-field theory

  Svenja Marten, Gunnar Bollmark, Thomas Köhler, Salvatore R. Manmana, Adrian Kantian

  SciPost Phys. 15, 236 (2023) · published 12 December 2023 | Toggle abstract · pdf

  We combine matrix-product-state (MPS) and mean-field (MF) methods to model the real-time evolution of a three-dimensional (3D) extended Hubbard system formed from one-dimensional (1D) chains arrayed in parallel with weak coupling in-between them. This approach allows us to treat much larger 3D systems of correlated fermions out-of-equilibrium over a much more extended real-time domain than previous numerical approaches. We deploy this technique to study the evolution of the system as its parameters are tuned from a charge-density wave phase into the superconducting regime, which allows us to investigate the formation of transient non-equilibrium superconductivity. In our ansatz, we use MPS solutions for chains as input for a self-consistent time-dependent MF scheme. In this way, the 3D problem is mapped onto an effective 1D Hamiltonian that allows us to use the MPS efficiently to perform the time evolution, and to measure the BCS order parameter as a function of time. Our results confirm previous findings for purely 1D systems that for such a scenario a transient superconducting state can occur.

  4 citations