Publications

Order by: publication date number of citations

• Quantum rotor in a two-dimensional mesoscopic Bose gas

  Michał Suchorowski, Alina Badamshina, Mikhail Lemeshko, Michał Tomza, Artem G. Volosniev

  SciPost Phys. 18, 059 (2025) · published 19 February 2025 | Toggle abstract · pdf

  We investigate a molecular quantum rotor in a two-dimensional Bose-Einstein condensate. The focus is on studying the angulon quasiparticle concept in the crossover from few- to many-body physics. To this end, we formulate the problem in real space and solve it with a mean-field approach in the frame co-rotating with the impurity. We show that the system starts to feature angulon characteristics when the size of the bosonic cloud is large enough to screen the rotor. More importantly, we demonstrate the departure from the angulon picture for large system sizes or large angular momenta where the properties of the system are determined by collective excitations of the Bose gas.

  1 citation

• Boosting determinant quantum Monte Carlo with submatrix updates: Unveiling the phase diagram of the 3D Hubbard model

  Fanjie Sun, Xiao Yan Xu

  SciPost Phys. 18, 055 (2025) · published 17 February 2025 | Toggle abstract · pdf

  Determinant Quantum Monte Carlo (DQMC) provides numerically exact solutions for strongly correlated fermionic systems but faces significant computational challenges with increasing system size. While submatrix updates were originally developed for Hirsch-Fye QMC with onsite interactions at finite temperatures, their comprehensive application in DQMC has remained unexplored despite noted algorithmic similarities. We present the first comprehensive application of submatrix updates in DQMC, significantly extending beyond the original scope by enabling simulations with extended interactions and at zero temperature. Building upon conventional fast updates and delay updates, our generalized implementation achieves an order-of-magnitude improvement in computational efficiency, enabling simulations of the half-filled Hubbard model on lattices up to 8,000 sites - a scale previously challenging with standard DQMC implementations. This enhanced computational capability allows us to accurately determine the finite-temperature phase diagram of the 3D Hubbard model at half-filling. Our findings not only shed light on the phase transitions within these complex systems but also pave the way for more effective simulations of strongly correlated electrons, potentially guiding experimental efforts in cold atom simulations of the 3D Hubbard model.

  2 citations

• Nonlocal order parameter of pair superfluids

  Nitya Cuzzuol, Luca Barbiero, Arianna Montorsi

  SciPost Phys. Core 8, 020 (2025) · published 11 February 2025 | Toggle abstract · pdf

  Order parameters represent a fundamental resource to characterize quantum matter. We show that pair superfluids can be rigorously defined in terms of a nonlocal order parameter, named odd parity, which derivation is experimentally accessible by local density measurements. As a case of study, we first investigate a constrained Bose-Hubbard model at different densities, both in one and two spatial dimensions. Here, our analysis finds pair superfluidity for relatively strong attractive interactions. The odd parity operator acts as the unique order parameter for such phase irrespectively to the density of the system and its dimensionality in regimes of total particle number conservation. In order to enforce our finding, we confirm the generality of our approach also on a two-component Bose-Hubbard Hamiltonian, which experimental realization represents a timely topic in ultracold atomic systems. Our results shed new light on the role of correlated density fluctuations in pair superfluids. In addition, they provide a powerful tool for the experimental detection of such exotic phases and the characterization of their transition to the atomic superfluid phase.

  1 citation

• Codebase release 0.2 for Carlo.jl

  Lukas Weber

  SciPost Phys. Codebases 49-r0.2 (2025) · published 7 February 2025 | Toggle abstract · src

  Carlo.jl is a Monte Carlo simulation framework written in Julia. It provides MPI-parallel scheduling (including parallel tempering), organized storage of input, checkpoint, and output files, as well as statistical postprocessing. With a minimalist design, it aims to aid the development of high-quality Monte Carlo codes, especially for demanding applications in condensed matter and statistical physics. This hands-on user guide shows how to implement a simple code with Carlo.jl, how to run an existing stochastic series expansion code based on Carlo.jl, and provides benchmarks to show its efficacy.

  1 citation

• Carlo.jl: A general framework for Monte Carlo simulations in Julia

  Lukas Weber

  SciPost Phys. Codebases 49 (2025) · published 7 February 2025 | Toggle abstract · pdf

  Carlo.jl is a Monte Carlo simulation framework written in Julia. It provides MPI-parallel scheduling (including parallel tempering), organized storage of input, checkpoint, and output files, as well as statistical postprocessing. With a minimalist design, it aims to aid the development of high-quality Monte Carlo codes, especially for demanding applications in condensed matter and statistical physics. This hands-on user guide shows how to implement a simple code with Carlo.jl, how to run an existing stochastic series expansion code based on Carlo.jl, and provides benchmarks to show its efficacy.

  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

• Codebase release 1.0 for DanceQ

  Robin Schäfer, David J. Luitz

  SciPost Phys. Codebases 48-r1.0 (2025) · published 5 February 2025 | Toggle abstract · src

  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

• Exciton dissociation in organic solar cells: An embedded charge transfer state model

  Jouda Jemaa Khabthani, Khouloud Chika, Alexandre Perrin, Didier Mayou

  SciPost Phys. 18, 038 (2025) · published 31 January 2025 | Toggle abstract · pdf

  Organic solar cells are a promising avenue for renewable energy, and our study introduces a comprehensive model to investigate exciton dissociation processes at the donor-acceptor interface. Examining quantum efficiency and emitted phonons in the charge transfer state (CTS), we explore scenarios like variations of the environment beyond the CTS and repulsive/attractive potentials. The donor-acceptor interface significantly influences the injection process, with minimal impact from the environment beyond the CTS. Attractive potentials can create localized electron states at the interface, below the acceptor band, without necessarily hampering a good injection at higher energies. Exploring different recombination processes, including acceptor-side and donor-side recombination, presents distinct phases for the injection process versus the initial energy of the electron and the recombination rate. Our study highlights the important role of the type of recombination in determining the quantum efficiency and the existence of hot or cold charge transfer states. Finally, depending on the initial energy of the electron on the donor side, three distinct injection regimes are exhibited. The present model should be helpful for optimizing organic photovoltaic cell interfaces, highlighting the critical parameter interplay for enhanced performance.

• Coalescing hardcore-boson condensate states with nonzero momentum

  C. H. Zhang, Z. Song

  SciPost Phys. Core 8, 013 (2025) · published 31 January 2025 | Toggle abstract · pdf

  Exceptional points (EPs), as an exclusive feature of a non-Hermitian system, support coalescing states to be alternative stable state beyond the ground state. In this work, we explore the influence of non-Hermitian impurities on the dynamic formation of condensate states in one-, two-, and three-dimensional extended Bose-Hubbard systems with strong on-site interaction. Based on the solution for the hardcore limit, we show exactly that condensate modes with off-diagonal long-range order (ODLRO) can exist when certain system parameters satisfy specific matching conditions. Under open boundary conditions, the condensate states become coalescing states when the non-Hermitian $\mathcal{PT}$-symmetric boundary gives rise to the EPs. The fundamental mechanism behind this phenomenon is uncovered through analyzing the scattering dynamics of many-particle wavepackets at the non-Hermitian boundaries. The EP dynamics facilitate the dynamic generation of condensate states with non-zero momentum. To further substantiate the theoretical findings, numerical simulations are conducted. This study not only unveils the potential condensation of interacting bosons but also offers an approach for the engineering of condensate states.

  1 citation

• Critical analysis of multiple reentrant localization in an antiferromagnetic helix with transverse electric field: Hopping dimerization-free scenario

  Sudin Ganguly, Sourav Chattopadhyay, Kallol Mondal, Santanu K. Maiti

  SciPost Phys. Core 8, 012 (2025) · published 30 January 2025 | Toggle abstract · pdf

  Reentrant localization (RL), a recently prominent phenomenon, traditionally links to the interplay of staggered correlated disorder and hopping dimerization, as indicated by prior research. Contrary to this paradigm, our present study demonstrates that hopping dimerization is not a pivotal factor in realizing RL. Considering a helical magnetic system with antiferromagnetic ordering, we uncover spin-dependent RL at multiple energy regions, in the absence of hopping dimerization. This phenomenon persists even in the thermodynamic limit. The correlated disorder in the form of Aubry-André-Harper model is introduced by applying a transverse electric field to the helical system, circumventing the use of traditional substitutional disorder. We conduct a finite-size scaling analysis on the observed reentrant phases to identify critical points, determine associated critical exponents, and examine the scaling behavior linked to localization transitions. Additionally, we explore the parameter space to identify the conditions under which the reentrant phases occur. Described within a tight-binding framework, present work provides a novel outlook on RL, highlighting the crucial role of electric field, antiferromagnetic ordering, and the helicity of the geometry. Potential applications and experimental realizations of RL phenomena are also explored.

  3 citations