Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

arXiv:2202.09949 · Physical Review A

Quantum information scrambling in molecules

Chenghao Zhang, Peter Guy Wolynes, Martin Gruebele

Published Mar 29, 2022• 11 citations
arXivHTMLPDF

Abstract

Out-of-time-order correlators (OTOCs) can be used to probe how quickly a quantum system scrambles information when the initial conditions of the dynamics are changed. In sufficiently large quantum systems, one can extract from the OTOC the quantum analog of the Lyapunov coefficient that describes the timescale on which a classical chaotic system becomes scrambled. OTOCs have been applied only to a very limited number of toy models, such as the Sachdev-Ye-Kitaev model connected with black hole information scrambling, but they could find much wider applicability for information scrambling in quantum systems that allow comparison with experiments. The vibrations of polyatomic molecules are known to undergo a transition from regular dynamics at low energy to facile energy flow at sufficiently high energy. Molecules therefore represent ideal quantum systems to study scrambling in many-body systems of moderate size (here 6 to 36 degrees of freedoms). By computing quantum OTOCs and their classical counterparts we quantify how information becomes ``scrambled'' quantum mechanically in molecular systems. Between early ``ballistic'' dynamics, and late ``saturation'' of the OTOC when the full density of states is explored, there is indeed a regime where a quantum Lyapunov coefficient can be defined for all molecules in this study. Comparison with experimental rate data shows that slow scrambling as measured by the OTOC can reach the timescale of molecular reaction dynamics. Even for the smallest molecules we discuss, the Maldacena bound remains satisfied by regularized OTOCs, but not by unregularized OTOCs, highlighting that the former are more useful for discussing information scrambling in this type of moderate-size quantum system.

DOI
10.1103/physreva.105.033322

Related papers

Quantum information scrambling and chemical reactions

Chenghao Zhang, Sohang Kundu, Nancy Makri +2 more

The ultimate regularity of quantum mechanics creates a tension with the assumption of classical chaos used in many of our pictures of chemical reaction dynamics. Out-of-time-order correlators (OTOCs) provide a quantum analog to the Lyapunov exponents that characterize classical chaotic motion. Maldacena, Shenker, and Stanford have suggested a fundamental quantum bound for the rate of information scrambling, which resembles a limit suggested by Herzfeld for chemical reaction rates. Here, we use OTOCs to study model reactions based on a double-well reaction coordinate coupled to anharmonic oscillators or to a continuum oscillator bath. Upon cooling, as one enters the tunneling regime where the reaction rate does not strongly depend on temperature, the quantum Lyapunov exponent can approach the scrambling bound and the effective reaction rate obtained from a population correlation function can approach the Herzfeld limit on reaction rates: Tunneling increases scrambling by expanding the state space available to the system. The coupling of a dissipative continuum bath to the reaction coordinate reduces the scrambling rate obtained from the early-time OTOC, thus making the scrambling bound harder to reach, in the same way that friction is known to lower the temperature at which thermally activated barrier crossing goes over to the low-temperature activationless tunneling regime. Thus, chemical reactions entering the tunneling regime can be information scramblers as powerful as the black holes to which the quantum Lyapunov exponent bound has usually been applied.

Proceedings of the National Academy of Sciences•Apr 1, 2024•13 citations

Information Scrambling in Quantum Many-Body Systems

Yongliang Zhang

A closed quantum system never forgets its initial state, but the encoded information can get scrambled and become inaccessible without measuring a large fraction of all the system degrees of freedom. This scrambling can be diagnosed by studying the spatial spreading of initially local operators under the Heisenberg time evolution, and the decay of the out-of-time-ordered correlators (OTOC). What insights can OTOCs provide to understand the dynamics of quantum many-body systems? What are the characteristic behaviors of OTOCs during the time evolution? How is information scrambling affected by the dissipation in open quantum many-body systems? We first study slow scrambling in many-body localized systems via calculating various correlators, two-point retarded correlators and OTOCs. Comparing with retarded correlators, OTOCs provide more information about the dynamics. We find that disorder slows and partially halts the onset of information scrambling. Instead of ballistic spreading, propagation of information forms a logarithmic light cone. Next, we study the finite-size scaling of OTOCs at late times in generic thermalizing quantum many-body systems. When energy is conserved, the late-time saturation value of the OTOC of generic traceless local operators scales as an inverse polynomial in the system size. This is in contrast to the inverse exponential scaling expected for chaotic dynamics without energy conservation. We also study information scrambling in open quantum many-body systems. We define a dissipative version of OTOC and study its behaviors in a prototypical chaotic quantum chain with dissipation. We find that dissipation leads to not only the overall decay of the scrambled information due to leaking, but also structural changes so that the information light cone can only reach a finite distance even when the effect of overall decay is removed. Finally, we construct a family of local Hamiltonians for understanding the asymmetric information scrambling. Our models live on a one-dimensional lattice and exhibit asymmetric butterfly light cone between the left and right spatial directions.

•Feb 28, 2020•5 citations

Out of Time Order Correlators as Measures of Quantum Information Scrambling with Spectral Diagnostic

Bannishikha Banerjee

Abstract Out-of-time-order correlators (OTOCs) have emerged as the preeminent theoretical and experimental probe of quantum information scrambling — the delocalization of quantum information across many-body degrees of freedom. Here we present a comprehensive computational study of OTOCs across three paradigmatic models: the Sachdev-Ye-Kitaev (SYK) model, the non-integrable transverse-field Ising chain, and random unitary circuits. Through exact diagonalization and large-N analytics, we extract Lyapunov exponents, scrambling times, and butterfly velocities, demonstrating that all chaotic systems studied approach, but do not saturate, the Maldacena-Shenker-Stanford (MSS) bound λ_L ≤ 2π/β. Crucially, we introduce the Spectral Out-of-Time-Order Correlator (SOTOC), a novel frequency-domain diagnostic that decomposes information scrambling into its constituent spectral modes. The SOTOC achieves a 32% improvement in Lyapunov exponent extraction precision over conventional log-linear fitting and maintains robust performance at noise levels σ > 0.30, where traditional methods fail. Our phase diagram reveals a sharp transition in scrambling dynamics at h/J ≈ 1.0 in the TFIM, coinciding with the onset of quantum chaos as measured by level-spacing statistics. These results establish SOTOC as a practical and theoretically grounded tool for probing scrambling in near-term quantum devices and holographic systems.

•May 6, 2026•0 citations

Information scrambling —A quantum thermodynamic perspective

Akram Touil, Sebastian Deffner

Abstract Recent advances in quantum information science have shed light on the intricate dynamics of quantum many-body systems, for which quantum information scrambling is a perfect example. Motivated by considerations of the thermodynamics of quantum information, this perspective aims at synthesizing key findings from several pivotal studies and exploring various aspects of quantum scrambling. We consider quantifiers such as the out-of-time-ordered correlator (OTOC) and the quantum mutual information, their connections to thermodynamics, and their role in understanding chaotic vs . integrable quantum systems. With a focus on representative examples, we cover a range of topics, including the thermodynamics of quantum information scrambling, and the scrambling dynamics in quantum gravity models such as the Sachdev-Ye-Kitaev (SYK) model. Examining these diverse approaches enables us to highlight the multifaceted nature of quantum information scrambling and its significance in understanding the fundamental aspects of quantum many-body dynamics at the intersection of quantum mechanics and thermodynamics.

arXiv:2401.05305•Europhysics Letters (EPL)•Apr 26, 2024•12 citations

The relation between classical and quantum Lyapunov exponent and the bound on chaos in classically chaotic quantum systems

Fabian Haneder, Gerrit Caspari, Juan Diego Urbina +1 more

Out-of-Time-Ordered Commutators (OTOCs), representing a key diagnostic for scrambling as a facet of short-time quantum chaos, have attracted wide-ranging interest, from many-body physics to quantum gravity. By means of a suitable form of the Wigner-Moyal expansion, and invoking ensemble equivalence in statistical physics, we provide a consistent approach to the growth rate of the OTOC for many-body systems with chaotic classical limit where both the classical Lyapunov exponent and the quantum nature of the density of states enter. Applying this construction to quantized high-dimensional hyperbolic motion, i.e., a quantum chaotic system that exhibits gravity-like correlation functions in the late-time regime, we compute the OTOC growth rate $Λ$ as a function of the number of degrees of freedom, $f$, and inverse temperature, $β$. We show that the scaled growth rate, $Λ/f$, can be described by a universal function of $f β$ and displays a cross-over from classical to quantum behavior as we increase $f$ and/or lower the temperature. In the deep quantum regime of infinite $f$, we find maximally fast scrambling in the sense of the Maldacena-Shenker-Stanford bound on chaos. This elucidates the non-perturbative mechanism underlying the saturation of the bound via quantum contributions to the mean density of states, and it provides further support for this dynamical system as a dual to two-dimensional quantum gravity. In this way, we present first evidence of maximally fast scrambling in a quantum chaotic system with a well-defined classical Hamiltonian limit, without invoking any external mechanism such as (disorder) averaging.

nlin.CDCross-listedarXiv:2512.19869•Dec 24, 2025•0 citations

Scrambling Dynamics and Out-of-Time-Ordered Correlators in Quantum Many-Body Systems

Shenglong Xu, Brian G. Swingle

This tutorial article introduces the physics of quantum information scrambling in quantum many-body systems. The goals are to understand how to precisely quantify the spreading of quantum information and how causality emerges in complex quantum systems. We introduce a general framework to study the dynamics of quantum information, including detection and decoding. We show that the dynamics of quantum information is closely related to operator dynamics in the Heisenberg picture, and, under certain circumstances, can be precisely quantified by the so-called out-of-time-ordered correlator (OTOC). The general behavior of the OTOC is discussed based on several toy models, including the Sachdev-Ye-Kitaev model, random circuit models, and Brownian models, in which the OTOC is analytically tractable. We introduce numerical methods, including exact diagonalization and tensor network methods, to calculate the OTOC for generic quantum many-body systems. We also survey current experimental schemes for measuring the OTOC in various quantum simulators. Published by the American Physical Society 2024

arXiv:2202.07060•PRX Quantum•Jan 22, 2024•141 citations
Out-of-time-order correlators (OTOCs) can be used to probe how quickly a quantum system scrambles information when the initial conditions of the dynamics are changed. In sufficiently large quantum systems, one can extract from the OTOC the quantum analog of the Lyapunov coefficient that describes the timescale on which a classical chaotic system becomes scrambled. OTOCs have been applied only to a very limited number of toy models, such as the Sachdev-Ye-Kitaev model connected with black hole information scrambling, but they could find much wider applicability for information scrambling in quantum systems that allow comparison with experiments. The vibrations of polyatomic molecules are known to undergo a transition from regular dynamics at low energy to facile energy flow at sufficiently high energy. Molecules therefore represent ideal quantum systems to study scrambling in many-body systems of moderate size (here 6 to 36 degrees of freedoms). By computing quantum OTOCs and their classical counterparts we quantify how information becomes scrambled'' quantum mechanically in molecular systems. Between early ballistic'' dynamics, and late ``saturation'' of the OTOC when the full density of states is explored, there is indeed a regime where a quantum Lyapunov coefficient can be defined for all molecules in this study. Comparison with experimental rate data shows that slow scrambling as measured by the OTOC can reach the timescale of molecular reaction dynamics. Even for the smallest molecules we discuss, the Maldacena bound remains satisfied by regularized OTOCs, but not by unregularized OTOCs, highlighting that the former are more useful for discussing information scrambling in this type of moderate-size quantum system.
The ultimate regularity of quantum mechanics creates a tension with the assumption of classical chaos used in many of our pictures of chemical reaction dynamics. Out-of-time-order correlators (OTOCs) provide a quantum analog to the Lyapunov exponents that characterize classical chaotic motion. Maldacena, Shenker, and Stanford have suggested a fundamental quantum bound for the rate of information scrambling, which resembles a limit suggested by Herzfeld for chemical reaction rates. Here, we use OTOCs to study model reactions based on a double-well reaction coordinate coupled to anharmonic oscillators or to a continuum oscillator bath. Upon cooling, as one enters the tunneling regime where the reaction rate does not strongly depend on temperature, the quantum Lyapunov exponent can approach the scrambling bound and the effective reaction rate obtained from a population correlation function can approach the Herzfeld limit on reaction rates: Tunneling increases scrambling by expanding the state space available to the system. The coupling of a dissipative continuum bath to the reaction coordinate reduces the scrambling rate obtained from the early-time OTOC, thus making the scrambling bound harder to reach, in the same way that friction is known to lower the temperature at which thermally activated barrier crossing goes over to the low-temperature activationless tunneling regime. Thus, chemical reactions entering the tunneling regime can be information scramblers as powerful as the black holes to which the quantum Lyapunov exponent bound has usually been applied.
A closed quantum system never forgets its initial state, but the encoded information can get scrambled and become inaccessible without measuring a large fraction of all the system degrees of freedom. This scrambling can be diagnosed by studying the spatial spreading of initially local operators under the Heisenberg time evolution, and the decay of the out-of-time-ordered correlators (OTOC). What insights can OTOCs provide to understand the dynamics of quantum many-body systems? What are the characteristic behaviors of OTOCs during the time evolution? How is information scrambling affected by the dissipation in open quantum many-body systems? We first study slow scrambling in many-body localized systems via calculating various correlators, two-point retarded correlators and OTOCs. Comparing with retarded correlators, OTOCs provide more information about the dynamics. We find that disorder slows and partially halts the onset of information scrambling. Instead of ballistic spreading, propagation of information forms a logarithmic light cone. Next, we study the finite-size scaling of OTOCs at late times in generic thermalizing quantum many-body systems. When energy is conserved, the late-time saturation value of the OTOC of generic traceless local operators scales as an inverse polynomial in the system size. This is in contrast to the inverse exponential scaling expected for chaotic dynamics without energy conservation. We also study information scrambling in open quantum many-body systems. We define a dissipative version of OTOC and study its behaviors in a prototypical chaotic quantum chain with dissipation. We find that dissipation leads to not only the overall decay of the scrambled information due to leaking, but also structural changes so that the information light cone can only reach a finite distance even when the effect of overall decay is removed. Finally, we construct a family of local Hamiltonians for understanding the asymmetric information scrambling. Our models live on a one-dimensional lattice and exhibit asymmetric butterfly light cone between the left and right spatial directions.
Abstract Out-of-time-order correlators (OTOCs) have emerged as the preeminent theoretical and experimental probe of quantum information scrambling — the delocalization of quantum information across many-body degrees of freedom. Here we present a comprehensive computational study of OTOCs across three paradigmatic models: the Sachdev-Ye-Kitaev (SYK) model, the non-integrable transverse-field Ising chain, and random unitary circuits. Through exact diagonalization and large-N analytics, we extract Lyapunov exponents, scrambling times, and butterfly velocities, demonstrating that all chaotic systems studied approach, but do not saturate, the Maldacena-Shenker-Stanford (MSS) bound λ_L ≤ 2π/β. Crucially, we introduce the Spectral Out-of-Time-Order Correlator (SOTOC), a novel frequency-domain diagnostic that decomposes information scrambling into its constituent spectral modes. The SOTOC achieves a 32% improvement in Lyapunov exponent extraction precision over conventional log-linear fitting and maintains robust performance at noise levels σ > 0.30, where traditional methods fail. Our phase diagram reveals a sharp transition in scrambling dynamics at h/J ≈ 1.0 in the TFIM, coinciding with the onset of quantum chaos as measured by level-spacing statistics. These results establish SOTOC as a practical and theoretically grounded tool for probing scrambling in near-term quantum devices and holographic systems.
Abstract Recent advances in quantum information science have shed light on the intricate dynamics of quantum many-body systems, for which quantum information scrambling is a perfect example. Motivated by considerations of the thermodynamics of quantum information, this perspective aims at synthesizing key findings from several pivotal studies and exploring various aspects of quantum scrambling. We consider quantifiers such as the out-of-time-ordered correlator (OTOC) and the quantum mutual information, their connections to thermodynamics, and their role in understanding chaotic vs . integrable quantum systems. With a focus on representative examples, we cover a range of topics, including the thermodynamics of quantum information scrambling, and the scrambling dynamics in quantum gravity models such as the Sachdev-Ye-Kitaev (SYK) model. Examining these diverse approaches enables us to highlight the multifaceted nature of quantum information scrambling and its significance in understanding the fundamental aspects of quantum many-body dynamics at the intersection of quantum mechanics and thermodynamics.
Out-of-Time-Ordered Commutators (OTOCs), representing a key diagnostic for scrambling as a facet of short-time quantum chaos, have attracted wide-ranging interest, from many-body physics to quantum gravity. By means of a suitable form of the Wigner-Moyal expansion, and invoking ensemble equivalence in statistical physics, we provide a consistent approach to the growth rate of the OTOC for many-body systems with chaotic classical limit where both the classical Lyapunov exponent and the quantum nature of the density of states enter. Applying this construction to quantized high-dimensional hyperbolic motion, i.e., a quantum chaotic system that exhibits gravity-like correlation functions in the late-time regime, we compute the OTOC growth rate ΛΛΛ as a function of the number of degrees of freedom, fff, and inverse temperature, βββ. We show that the scaled growth rate, Λ/fΛ/fΛ/f, can be described by a universal function of fβf βfβ and displays a cross-over from classical to quantum behavior as we increase fff and/or lower the temperature. In the deep quantum regime of infinite fff, we find maximally fast scrambling in the sense of the Maldacena-Shenker-Stanford bound on chaos. This elucidates the non-perturbative mechanism underlying the saturation of the bound via quantum contributions to the mean density of states, and it provides further support for this dynamical system as a dual to two-dimensional quantum gravity. In this way, we present first evidence of maximally fast scrambling in a quantum chaotic system with a well-defined classical Hamiltonian limit, without invoking any external mechanism such as (disorder) averaging.
This tutorial article introduces the physics of quantum information scrambling in quantum many-body systems. The goals are to understand how to precisely quantify the spreading of quantum information and how causality emerges in complex quantum systems. We introduce a general framework to study the dynamics of quantum information, including detection and decoding. We show that the dynamics of quantum information is closely related to operator dynamics in the Heisenberg picture, and, under certain circumstances, can be precisely quantified by the so-called out-of-time-ordered correlator (OTOC). The general behavior of the OTOC is discussed based on several toy models, including the Sachdev-Ye-Kitaev model, random circuit models, and Brownian models, in which the OTOC is analytically tractable. We introduce numerical methods, including exact diagonalization and tensor network methods, to calculate the OTOC for generic quantum many-body systems. We also survey current experimental schemes for measuring the OTOC in various quantum simulators. Published by the American Physical Society 2024