Publications

Order by: publication date number of citations

• Associative bond swaps in molecular dynamics

  Simone Ciarella, Wouter G. Ellenbroek

  SciPost Phys. 12, 128 (2022) · published 12 April 2022 | Toggle abstract · pdf

  We implement a three-body potential to model associative bond swaps, and release it as part of the HOOMD-blue software. The use of a three-body potential to model swaps has been proven to be effective and has recently provided useful insights into the mechanics and dynamics of adaptive network materials such as vitrimers. It is elegant because it can be used in plain molecular dynamics simulations without the need for topology-altering Monte Carlo steps, and naturally represents typical physical features such as slip-bond behavior. It is easily tunable with a single parameter to control the average swap rate. Here, we show how associative bond swaps can be used to speed up the equilibration of systems that self-assemble by avoiding traps and pitfalls, corresponding to long-lived metastable configurations. Our results demonstrate the possibilities of these swaps not only for modeling systems that are associative by nature, but also for increasing simulation efficiency in other systems that are modellable in HOOMD-blue.

  2 citations

• Modified rational six vertex model on the rectangular lattice

  Samuel Belliard, Rodrigo Alves Pimenta, Nikita A. Slavnov

  SciPost Phys. 16, 009 (2024) · published 9 January 2024 | Toggle abstract · pdf

  We consider a rational six vertex model on a rectangular lattice with boundary conditions that generalize the usual domain wall type. We find that the partition function of the inhomogeneous version of this model is given by a modified Izergin determinant. The proofs are based on the quantum inverse scattering method and its representation theory together with elementary linear algebra.

  2 citations

• Physical and unphysical regimes of self-consistent many-body perturbation theory

  Kris Van Houcke, Evgeny Kozik, Riccardo Rossi, Youjin Deng, Félix Werner

  SciPost Phys. 16, 133 (2024) · published 27 May 2024 | Toggle abstract · pdf

  In the standard framework of self-consistent many-body perturbation theory, the skeleton series for the self-energy is truncated at a finite order N and plugged into the Dyson equation, which is then solved for the propagator $G_N$. We consider two examples of fermionic models, the Hubbard atom at half filling and its zero space-time dimensional simplified version. First, we show that $G_N$ converges when $N\to∞$ to a limit $G_∞\,$, which coincides with the exact physical propagator $G_{exact}$ at small enough coupling, while $G_∞ ≠ G_{exact}$ at strong coupling. This follows from the findings of [Phys. Rev. Lett. 114, 156402 (2015)] and an additional subtle mathematical mechanism elucidated here. Second, we demonstrate that it is possible to discriminate between the $G_∞=G_{exact}$ and $G_∞≠G_{exact}$ regimes thanks to a criterion which does not require the knowledge of $G_{exact}$, as proposed in [Phys. Rev. B 93, 161102 (2016)].

  2 citations

• Chaos enhancement in large-spin chains

  Yael Lebel, Lea F. Santos, Yevgeny Bar Lev

  SciPost Phys. 15, 022 (2023) · published 21 July 2023 | Toggle abstract · pdf

  We study the chaotic properties of a large-spin XXZ chain with onsite disorder and a small number of excitations above the fully polarized state. We show that while the classical limit, which is reached for large spins, is chaotic, enlarging the spin suppresses quantum chaos features. We examine ways to facilitate chaos by introducing additional terms to the Hamiltonian. Interestingly, perturbations that are diagonal in the basis of product states in the $z$-direction do not lead to significant enhancement of chaos, while off-diagonal perturbations restore chaoticity for large spins, so that only three excitations are required to achieve strong level repulsion and ergodic eigenstates.

  2 citations

• CORSIKA 8 - the next-generation air shower simulation framework

  Tim Huege for the CORSIKA 8 Collaboration

  SciPost Phys. Proc. 13, 028 (2023) · published 29 September 2023 | Toggle abstract · pdf

  For more than 20 years, the community has heavily relied on CORSIKA for the simulation of extensive air showers, their Cherenkov light emission and their radio signals. While tremendously successful, the Fortran-based monolithic design of CORSIKA up to version 7 limits adaptation to new experimental needs, for example, in complex scenarios where showers transition from air into dense media, and to new computing paradigms such as the use of multi-core and GPU parallelization. With CORSIKA 8, we have reimplemented the core functionality of CORSIKA in a modern, modular, C++-based simulation framework, and successfully validated it against CORSIKA 7. Here, we discuss the philosophy of CORSIKA 8, showcase some example applications, and present the current state of implementation as well as the plans for the future.

  2 citations

• Superconvergence of topological entropy in the symbolic dynamics of substitution sequences

  Leon Zaporski, Felix Flicker

  SciPost Phys. 7, 018 (2019) · published 7 August 2019 | Toggle abstract · pdf

  We consider infinite sequences of superstable orbits (cascades) generated by systematic substitutions of letters in the symbolic dynamics of one-dimensional nonlinear systems in the logistic map universality class. We identify the conditions under which the topological entropy of successive words converges as a double exponential onto the accumulation point, and find the convergence rates analytically for selected cascades. Numerical tests of the convergence of the control parameter reveal a tendency to quantitatively universal double-exponential convergence. Taking a specific physical example, we consider cascades of stable orbits described by symbolic sequences with the symmetries of quasilattices. We show that all quasilattices can be realised as stable trajectories in nonlinear dynamical systems, extending previous results in which two were identified.

  2 citations

• Bootstrapping frustrated magnets: the fate of the chiral ${\rm O}(N)\times {\rm O}(2)$ universality class

  Marten Reehorst, Slava Rychkov, Benoit Sirois, Balt C. van Rees

  SciPost Phys. 18, 060 (2025) · published 19 February 2025 | Toggle abstract · pdf

  We study multiscalar theories with $\text{O}(N) × \text{O}(2)$ symmetry. These models have a stable fixed point in $d$ dimensions if $N$ is greater than some critical value $N_c(d)$. Previous estimates of this critical value from perturbative and non-perturbative renormalization group methods have produced mutually incompatible results. We use numerical conformal bootstrap methods to constrain $N_c(d)$ for $3 ≤ d < 4$. Our results show that $N_c> 3.78$ for $d = 3$. This favors the scenario that the physically relevant models with $N = 2,3$ in $d=3$ do not have a stable fixed point, indicating a first-order transition. Our result exemplifies how conformal windows can be rigorously constrained with modern numerical bootstrap algorithms.

  2 citations

• 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

• Vacuum-field-induced state mixing

  Diego Fernández de la Pradilla, Esteban Moreno, Johannes Feist

  SciPost Phys. 15, 252 (2023) · published 22 December 2023 | Toggle abstract · pdf

  By engineering the electromagnetic vacuum field, the induced Casimir-Polder shift (also known as Lamb shift) and spontaneous emission rates of individual atomic levels can be controlled. When the strength of these effects becomes comparable to the energy difference between two previously uncoupled atomic states, an environment-induced interaction between these states appears after tracing over the environment. This interaction has been previously studied for degenerate levels and simple geometries involving infinite, perfectly conducting half-spaces or free space. Here, we generalize these studies by developing a convenient description that permits the analysis of these non-diagonal perturbations to the atomic Hamiltonian in terms of an accurate non-Hermitian Hamiltonian. Applying this theory to a hydrogen atom close to a dielectric nanoparticle, we show strong vacuum-field-induced state mixing that leads to drastic modifications in both the energies and decay rates compared to conventional diagonal perturbation theory. In particular, contrary to the expected Purcell enhancement, we find a surprising decrease of decay rates within a considerable range of atom-nanoparticle separations. Furthermore, we quantify the large degree of mixing of the unperturbed eigenstates due to the non-diagonal perturbation. Our work opens new quantum state manipulation possibilities in emitters with closely spaced energy levels.

  2 citations

• Exploring the vortex phase diagram of Bogoliubov-de Gennes disordered superconductors

  Bo Fan (范波), Antonio Miguel García García

  SciPost Phys. 15, 196 (2023) · published 15 November 2023 | Toggle abstract · pdf

  We study the interplay of vortices and disorder in a two-dimensional disordered superconductor at zero temperature described by the Bogoliubov-de Gennes (BdG) self-consistent formalism for lattices of sizes up to 100×100 where the magnetic flux is introduced by the Peierls substitution. We model substantially larger lattice size than in previous approaches (≤36×36) which has allowed us to identify a rich phase diagram as a function of the magnetic flux and the disorder strength. For sufficiently weak disorder, and not too strong magnetic flux, we observe a slightly distorted Abrikosov triangular vortex lattice. An increase in the magnetic flux leads to an unexpected rectangular vortex lattice. A further increase in disorder, or flux, gradually destroys the lattice symmetry though strong vortex repulsion persists. An even stronger disorder leads to deformed single vortices with an inhomogeneous core. As the number of vortices increases, vortex overlap becomes more frequent. Finally, we show that global phase coherence is a feature of all these phases and that disorder enhances substantially the critical magnetic flux with respect to the clean limit with a maximum on the metallic side of the insulating transition.

  2 citations