Publications

Order by: publication date number of citations

• Simulating thermal density operators with cluster expansions and tensor networks

  Bram Vanhecke, David Devoogdt, Frank Verstraete, Laurens Vanderstraeten

  SciPost Phys. 14, 085 (2023) · published 26 April 2023 | Toggle abstract · pdf

  We provide an efficient approximation for the exponential of a local operator in quantum spin systems using tensor-network representations of a cluster expansion. We benchmark this cluster tensor network operator (cluster TNO) for one-dimensional systems, and show that the approximation works well for large real- or imaginary-time steps. We use this formalism for representing the thermal density operator of a two-dimensional quantum spin system at a certain temperature as a single cluster TNO, which we can then contract by standard contraction methods for two-dimensional tensor networks. We apply this approach to the thermal phase transition of the transverse-field Ising model on the square lattice, and we find through a scaling analysis that the cluster-TNO approximation gives rise to a continuous phase transition in the correct universality class; by increasing the order of the cluster expansion we find good values of the critical point up to surprisingly low temperatures.

  7 citations

• Unifying semiclassics and quantum perturbation theory at nonlinear order

  Daniel Kaplan, Tobias Holder, Binghai Yan

  SciPost Phys. 14, 082 (2023) · published 25 April 2023 | Toggle abstract · pdf

  Nonlinear electrical response permits a unique window into effects of band structure geometry. It can be calculated either starting from a Boltzmann approach for small frequencies, or using Kubo's formula for resonances at finite frequency. However, a precise connection between both approaches has not been established. Focusing on the second order nonlinear response, here we show how the semiclassical limit can be recovered from perturbation theory in the velocity gauge, provided that finite quasiparticle lifetimes are taken into account. We find that matrix elements related to the band geometry combine in this limit to produce the semiclassical nonlinear conductivity. We demonstrate the power of the new formalism by deriving a quantum contribution to the nonlinear conductivity which is of order $\tau^{-1}$ in the relaxation time $\tau$, which is principally inaccessible within the Boltzmann approach. We outline which steps can be generalized to higher orders in the applied perturbation, and comment about potential experimental signatures of our results.

  28 citations

• Temperature dependence of quasiparticle interference in $d$-wave superconductors

  Harun Al Rashid, Garima Goyal, Alireza Akbari, Dheeraj Kumar Singh

  SciPost Phys. Core 6, 033 (2023) · published 24 April 2023 | Toggle abstract · pdf

  We investigate the temperature dependence of quasiparticle interference in the high $T_c$-cuprates using an exact-diagonalization + Monte-Carlo based scheme to simulate the $d$-wave superconducting order parameter. The quasiparticle interference patterns have features largely resulting from the scattering vectors of the octet model at lower temperature. Our findings suggest that the features of quasiparticle interference in the pseudogap region of the phase diagram are also dominated by the set of scattering vectors belonging to the octet model because of the persisting antinodal gap beyond the superconducting transition $T_c$. However, beyond a temperature when the antinodal gap becomes very small, a set of scattering vectors different from those belonging to the octet model are responsible for the quasiparticle interference patterns. With a rise in temperature, the patterns are increasingly broadened.

  5 citations

• Properties of fermionic systems with the path-integral ground state method

  Sebastian Ujevic, Vinicius Zampronio, Bruno R. de Abreu, Silvio A. Vitiello

  SciPost Phys. Core 6, 031 (2023) · published 20 April 2023 | Toggle abstract · pdf

  We investigate strongly correlated many-body systems composed of bosons and fermions with a fully quantum treatment using the path-integral ground state method, PIGS. To account for the Fermi-Dirac statistics, we implement the fixed-node approximation into PIGS, which we then call FN-PIGS. In great detail, we discuss the pair density matrices we use to construct the full density operator in coordinate representation, a vital ingredient of the method. We consider the harmonic oscillator as a proof-of-concept and, as a platform representing quantum many-body systems, we explore helium atoms. Pure $^4$He systems demonstrate most of the features of the method. Complementarily, for pure $^3$He, the fixed-node approximation resolves the ubiquitous sign problem stemming from anti-symmetric wave functions. Finally, we investigate $^3$He-$^4$He mixtures, demonstrating the method's robustness. One of the main features of FN-PIGS is its ability to estimate any property at temperature $T = 0$ without any additional bias apart from the FN approximation; biases from long simulations are also excluded. In particular, we calculate the correlation function of pairs of equal and opposite spins and precise values of the $^3$He kinetic energy in the mixture.

  1 citation

• Majorana bound states in encapsulated bilayer graphene

  Fernando Peñaranda, Ramón Aguado, Elsa Prada, Pablo San-Jose

  SciPost Phys. 14, 075 (2023) · published 18 April 2023 | Toggle abstract · pdf

  The search for robust topological superconductivity and Majorana bound states continues, exploring both one-dimensional (1D) systems such as semiconducting nanowires and two-dimensional (2D) platforms. In this work we study a 2D approach based on graphene bilayers encapsulated in transition metal dichalcogenides that, unlike previous proposals involving the Quantum Hall regime in graphene, requires weaker magnetic fields and does not rely on interactions. The encapsulation induces strong spin-orbit coupling on the graphene bilayer, which opens a sizeable gap and stabilizes fragile pairs of helical edge states. We show that, when subject to an in-plane Zeeman field, armchair edges can be transformed into p-wave one-dimensional topological superconductors by contacting them laterally with conventional superconductors. We demonstrate the emergence of Majorana bound states (MBSs) at the sample corners of crystallographically perfect flakes, belonging either to the D or the BDI symmetry classes depending on parameters. We compute the phase diagram, the resilience of MBSs against imperfections, and their manifestation as a 4$\pi$-periodic effect in Josephson junction geometries, all suggesting the existence of a topological phase within experimental reach.

  9 citations

• Optimal compression of quantum many-body time evolution operators into brickwall circuits

  Maurits S. J. Tepaske, Dominik Hahn, David J. Luitz

  SciPost Phys. 14, 073 (2023) · published 17 April 2023 | Toggle abstract · pdf

  Near term quantum computers suffer from a degree of decoherence which is prohibitive for high fidelity simulations with deep circuits. An economical use of circuit depth is therefore paramount. For digital quantum simulation of quantum many-body systems, real time evolution is typically achieved by a Trotter decomposition of the time evolution operator into circuits consisting only of two qubit gates. To match the geometry of the physical system and the CNOT connectivity of the quantum processor, additional SWAP gates are needed. We show that optimal fidelity, beyond what is achievable by simple Trotter decompositions for a fixed gate count, can be obtained by compiling the evolution operator into optimal brickwall circuits for the $S=1/2$ quantum Heisenberg model on chains and ladders, when mapped to one dimensional quantum processors without the need of additional SWAP gates.

  24 citations

• Extracting electronic many-body correlations from local measurements with artificial neural networks

  Faluke Aikebaier, Teemu Ojanen, Jose L. Lado

  SciPost Phys. Core 6, 030 (2023) · published 17 April 2023 | Toggle abstract · pdf

  The characterization of many-body correlations provides a powerful tool for analyzing correlated quantum materials. However, experimental extraction of quantum entanglement in correlated electronic systems remains an open problem in practice. In particular, the correlation entropy quantifies the strength of quantum correlations in interacting electronic systems, yet it requires measuring all the single-particle correlators of a macroscopic sample. To circumvent this bottleneck, we introduce a strategy to obtain the correlation entropy of electronic systems solely from a set of local measurements. We show that, by combining local particle-particle and density-density correlations with a neural-network algorithm, the correlation entropy can be predicted accurately. Specifically, we show that for a generalized interacting fermionic model, our algorithm yields an accurate prediction of the correlation entropy from a set of noisy local correlators. Our work shows that the correlation entropy in interacting electron systems can be reconstructed from local measurements, providing a starting point to experimentally extract many-body correlations with local probes.

  11 citations

• Engineering a pure Dirac regime in ZrTe$_5$

  Jorge I. Facio, Elisabetta Nocerino, Ion Cosma Fulga, Rafal Wawrzynczak, Joanna Brown, Genda Gu, Qiang Li, Martin Mansson, Yasmine Sassa, Oleh Ivashko, Martin v. Zimmermann, Felix Mende, Johannes Gooth, Stanislaw Galeski, Jeroen van den Brink, Tobias Meng

  SciPost Phys. 14, 066 (2023) · published 11 April 2023 | Toggle abstract · pdf

  Real-world topological semimetals typically exhibit Dirac and Weyl nodes that coexist with trivial Fermi pockets. This tends to mask the physics of the relativistic quasiparticles. Using the example of ZrTe$_5$, we show that strain provides a powerful tool for in-situ tuning of the band structure such that all trivial pockets are pushed far away from the Fermi energy, but only for a certain range of Van der Waals gaps. Our results naturally reconcile contradicting reports on the presence or absence of additional pockets in ZrTe$_5$, and provide a clear map of where to find a pure three-dimensional Dirac semimetallic phase in the structural parameter space of the material.

  6 citations

• Codebase release 0.2 for Pychastic

  Radost Waszkiewicz, Maciej Bartczak, Kamil Kolasa, Maciej Lisicki

  SciPost Phys. Codebases 11-r0.2 (2023) · published 3 April 2023 | Toggle abstract · src

  In the last decade, Python-powered physics simulations ecosystem has been growing steadily, allowing greater interoperability, and becoming an important tool in numerical exploration of physical phenomena, particularly in soft matter systems. Driven by the need for fast and precise numerical integration in colloidal dynamics, here we formulate the problem of Brownian Dynamics (BD) in a mathematically consistent formalism of the Itō calculus, and develop a Python package to assist numerical computations. We show that, thanks to the automatic differentiation packages, the classical truncated Taylor-Itō integrators can be implemented without the burden of computing the derivatives of the coefficient functions beforehand. Furthermore, we show how to circumvent the difficulties of BD simulations such as calculations of the divergence of the mobility tensor in the diffusion equation and discontinuous trajectories encountered when working with dynamics on $S^2$ and $SO(3)$. The resulting Python package, Pychastic, is capable of performing BD simulations including hydrodynamic interactions at speeds comparable to dedicated implementations in lower-level programming languages, but with a much simpler end-user interface.

  1 citation

• Pychastic: Precise Brownian dynamics using Taylor-Itō integrators in Python

  Radost Waszkiewicz, Maciej Bartczak, Kamil Kolasa, Maciej Lisicki

  SciPost Phys. Codebases 11 (2023) · published 3 April 2023 | Toggle abstract · pdf

  In the last decade, Python-powered physics simulations ecosystem has been growing steadily, allowing greater interoperability, and becoming an important tool in numerical exploration of physical phenomena, particularly in soft matter systems. Driven by the need for fast and precise numerical integration in colloidal dynamics, here we formulate the problem of Brownian Dynamics (BD) in a mathematically consistent formalism of the Itō calculus, and develop a Python package to assist numerical computations. We show that, thanks to the automatic differentiation packages, the classical truncated Taylor-Itō integrators can be implemented without the burden of computing the derivatives of the coefficient functions beforehand. Furthermore, we show how to circumvent the difficulties of BD simulations such as calculations of the divergence of the mobility tensor in the diffusion equation and discontinuous trajectories encountered when working with dynamics on $S^2$ and $SO(3)$. The resulting Python package, Pychastic, is capable of performing BD simulations including hydrodynamic interactions at speeds comparable to dedicated implementations in lower-level programming languages, but with a much simpler end-user interface.

  5 citations