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

Journal of Physics A Mathematical and Theoretical

Unveiling quantum resources in dimeric perylene-based arrays

Aicha Chouiba, Samira Elghaayda, Anas Ait Chlih, Mostafa Mansour

Published Mar 11, 2025• 6 citations
Publisher

Abstract

Abstract Over the past few decades, the manipulation of organic molecules has become a central focus in theoretical and experimental physics. These molecules are foundational to many current technologies and hold potential for future advancements, such as quantum computers. They are particularly promising for light harvesting and energy transfer applications due to the strong dipole–dipole coupling between their transition dipole moments. However, there is still a limited understanding of when quantum resources in these systems remain relevant in the presence of high noise levels. In this paper, we investigate the effects of thermal noise on dimeric perylene-based arrays, focusing on quantum resources such as Bures entanglement, Hellinger coherence, EPR steering, and Bell inequality violation in Perylene-Bisimide. We analyze how equilibrium temperature, interaction strength, and molecular transitions impact the dynamics of quantum resources. Our results indicate that varying the molecules frequency transitions and tuning the dipole–dipole interaction strength can control quantum resources and the degree of Bell inequality violation. Additionally, we find that Hellinger coherence is more resistant against thermal noise than Bures entanglement and that Bell’s inequality is not violated at infinite temperatures. Furthermore, EPR steering demonstrates greater resilience to increasing temperatures compared to Bell inequality violation.

DOI
10.1088/1751-8121/adbf77

Related papers

Dimeric Perylene-Bisimide Organic Molecules: Fractional-Time Control of Quantum Resources

Abdessamie Chhieb, Chaimae Banouni, Sliha Abdessamie

In this work, we explore the dynamics of quantum correlations, namely coherence, entanglement, and nonlocality associated with a Bell state, in a dimeric arrangement of organic PBI molecules, mediated by dipole-dipole interactions, under time-fractional dynamics. Within the framework of the time-fractional Schrödinger equation (TFSE) with Caputo fractional derivatives, we explore system dynamics for different values of the fractional order $τ$, transition energies, interaction strength, and purity $p$. We employ the relative entropy of coherence, logarithmic entanglement entropy and concurrence, and CHSH inequality to estimate system dynamics associated with coherence, entanglement, and nonlocality, respectively. These findings highlight the role of the fractional order $τ$ in system dynamics, including memory effects and relaxation, and thereby bring together ideas from fractional calculus and quantum information theory perspectives and discuss methodologies to control and utilize these molecular quantum correlations.

quant-pharXiv:2605.05109•May 7, 2026•0 citations

Conditional quantum dynamics and nonlocal states in dimeric and trimeric arrays of organic molecules

John Henry Reina, Cristian E. Susa, Richard Hildner

Arrays of covalently bound organic molecules possess potential for light-harvesting and energy transfer applications due to the strong coherent dipole-dipole coupling between the transition dipole moments of the molecules involved. Here, we show that such molecular systems, based on perylene molecules, can be considered as arrays of qubits that are amenable for laser-driven quantum coherent control. The perylene monomers exhibit dephasing times four orders of magnitude longer than a typical gating time, thus allowing for the execution of a large number of gate operations on the subpicosecond timescale. Specifically, we demonstrate quantum logic gates and entanglement in bipartite (dimer) and tripartite (trimer) systems of perylene-based arrays. In dimers, naturally entangled states with a tailored degree of entanglement can be produced. The nonlocality of the molecular trimer entanglement is demonstrated by testing Mermin's (Bell-like) inequality violation.

arXiv:1804.10338•Physical Review A•Jun 26, 2018•12 citations

Entropic uncertainty and quantum correlations in perylene-qubit dimers under decoherence channels

Ahmad N. Khedr, Samira Elghaayda, Mostafa Mansour

Abstract We explore how thermal fluctuations and noisy decoherence affect non-classical correlations and entropic uncertainty relations in a perylene-bisimide (PBI) dimer system represented by two coupled molecular two-level systems. The composite Hamiltonian includes dipole-dipole interaction between the monomers, and the system’s initial state is considered the thermal Gibbs state, which exhibits entanglement at a finite temperature. Environmental noise is introduced through amplitude damping, phase damping, and phase-flip channels, allowing us to trace the evolution of logarithmic negativity, trace distance discord, and the quantum-memory-assisted entropic uncertainty relation (QMA-EUR). The investigation demonstrates that entanglement decays rapidly with increasing temperature and decoherence strength, whereas trace discord remains resilient over a more comprehensive parameter range. This robustness suggests that PBI dimers can retain useful quantum resources under realistic environmental conditions, highlighting their potential as building blocks for molecular quantum information devices.

Physica Scripta•Feb 21, 2026•1 citation

Probing quantum resources in nitrogen-vacancy centers in diamond

Aicha Chouiba, Samira Elghaayda, Mostafa Mansour

Abstract We study the thermal evolution of entanglement, Bell non-locality, quantum steering, and correlated coherence in a system constituted of two nitrogen vacancy (NV) centers with dipole-dipole interaction and subjected to an external magnetic field. From the results, we observe that correlated coherence is more resilient than the other resources, so quantum tasks based on correlated coherence survive over a wider temperature range than those relying on non-local quantum correlations: correlated coherence remains nonzero up to k B T ≈ 41.7 GHz, whereas the other three measures vanish below k B T ≈ 0.6 GHz. We also reveal a distinct hierarchy of resilience of these quantum correlation metrics: Bell non-locality is the most fragile resource, followed by Einstein-Podolsky-Rosen (EPR)-steering and negativity. The results also indicate that the NV center parameters can be tuned for the enhancement and preservation of the quantum correlations within this system against thermal fluctuations.

Physica Scripta•May 14, 2026•0 citations

Quantum Correlations and Coherence of Polar Symmetric Top Molecules in Pendular States

Zuo-Yuan Zhang, Jin‐Ming Liu

Abstract We consider two ultracold polar symmetric top molecules coupled by dipole-dipole interaction in an external electric field with appreciable intensity gradient, serving as the physical carrier of quantum information. Each molecule is induced to undergo pendular oscillations under the strong static electric field. Based on the pendular states of polar symmetric top molecules as candidate qubits, we investigate the bipartite quantum correlations of the two polar molecular system for the thermal equilibrium states, characterized by negativity and quantum discord, and then analyze the corresponding coherence, measured by relative entropy and l1 norm. Furthermore, we also examine the dynamics of the entanglement and coherence of the system in the presence of intrinsic decoherence, and explore the relations of their temporal evolution with various physical system parameters for two different initial Bell states. It is found that quantum correlations and coherence of the two polar molecules in pendular states can be manipulated by adjusting appropriate reduced variables including external electric field, dipole-dipole interaction, ambient temperature and decoherence factor. Our findings could be used for molecular quantum computing based on rotational states.

Scientific Reports•Dec 13, 2017•26 citations

Pairwise thermal quantum resources in graphene-based qubits under polarized laser driving

Zakaria Bouafia, Zakaria Dahbi, Mostafa Mansour

Abstract We investigate the dynamics of entanglement and quantum coherence between the pseudospin and valley indices of individual electrons in two-dimensional graphene, thermalized at an equilibrium temperature T . The system is modeled by an effective Dirac-like Hamiltonian describing a graphene valley-pseudospin qubit under polarized laser driving, including sublattice-dependent scattering process, while the thermal fluctuations are accounted through the standard Gibbs thermal state. Entanglement between the two degrees of liberty of electrons is quantified using concurrence, and coherence with the system is measured employing the relative entropy of coherence. The findings demonstrate that the behavior of entanglement and coherence under thermal noise strongly depends on the scattering strength, wavevector components, and electromagnetic field. Additionally, our results indicate that the strong polarized fields ( ξ 0 = 8 meV 2 ) with low-frequency ( ω = 0.06 eV ) can be employed to enhance the robustness of thermal entanglement and coherence of the system at intermediate temperatures. We also explore the impact of the other system parameters, like scattering strength and wavevector components, in enhancing and preserving quantum resources within graphene-based systems, noting particularly that the relative entropy of coherence is more resilient than concurrence against thermal decoherence.

Physica Scripta•Jun 2, 2026•0 citations
Abstract Over the past few decades, the manipulation of organic molecules has become a central focus in theoretical and experimental physics. These molecules are foundational to many current technologies and hold potential for future advancements, such as quantum computers. They are particularly promising for light harvesting and energy transfer applications due to the strong dipole–dipole coupling between their transition dipole moments. However, there is still a limited understanding of when quantum resources in these systems remain relevant in the presence of high noise levels. In this paper, we investigate the effects of thermal noise on dimeric perylene-based arrays, focusing on quantum resources such as Bures entanglement, Hellinger coherence, EPR steering, and Bell inequality violation in Perylene-Bisimide. We analyze how equilibrium temperature, interaction strength, and molecular transitions impact the dynamics of quantum resources. Our results indicate that varying the molecules frequency transitions and tuning the dipole–dipole interaction strength can control quantum resources and the degree of Bell inequality violation. Additionally, we find that Hellinger coherence is more resistant against thermal noise than Bures entanglement and that Bell’s inequality is not violated at infinite temperatures. Furthermore, EPR steering demonstrates greater resilience to increasing temperatures compared to Bell inequality violation.
In this work, we explore the dynamics of quantum correlations, namely coherence, entanglement, and nonlocality associated with a Bell state, in a dimeric arrangement of organic PBI molecules, mediated by dipole-dipole interactions, under time-fractional dynamics. Within the framework of the time-fractional Schrödinger equation (TFSE) with Caputo fractional derivatives, we explore system dynamics for different values of the fractional order τττ, transition energies, interaction strength, and purity ppp. We employ the relative entropy of coherence, logarithmic entanglement entropy and concurrence, and CHSH inequality to estimate system dynamics associated with coherence, entanglement, and nonlocality, respectively. These findings highlight the role of the fractional order τττ in system dynamics, including memory effects and relaxation, and thereby bring together ideas from fractional calculus and quantum information theory perspectives and discuss methodologies to control and utilize these molecular quantum correlations.
Arrays of covalently bound organic molecules possess potential for light-harvesting and energy transfer applications due to the strong coherent dipole-dipole coupling between the transition dipole moments of the molecules involved. Here, we show that such molecular systems, based on perylene molecules, can be considered as arrays of qubits that are amenable for laser-driven quantum coherent control. The perylene monomers exhibit dephasing times four orders of magnitude longer than a typical gating time, thus allowing for the execution of a large number of gate operations on the subpicosecond timescale. Specifically, we demonstrate quantum logic gates and entanglement in bipartite (dimer) and tripartite (trimer) systems of perylene-based arrays. In dimers, naturally entangled states with a tailored degree of entanglement can be produced. The nonlocality of the molecular trimer entanglement is demonstrated by testing Mermin's (Bell-like) inequality violation.
Abstract We explore how thermal fluctuations and noisy decoherence affect non-classical correlations and entropic uncertainty relations in a perylene-bisimide (PBI) dimer system represented by two coupled molecular two-level systems. The composite Hamiltonian includes dipole-dipole interaction between the monomers, and the system’s initial state is considered the thermal Gibbs state, which exhibits entanglement at a finite temperature. Environmental noise is introduced through amplitude damping, phase damping, and phase-flip channels, allowing us to trace the evolution of logarithmic negativity, trace distance discord, and the quantum-memory-assisted entropic uncertainty relation (QMA-EUR). The investigation demonstrates that entanglement decays rapidly with increasing temperature and decoherence strength, whereas trace discord remains resilient over a more comprehensive parameter range. This robustness suggests that PBI dimers can retain useful quantum resources under realistic environmental conditions, highlighting their potential as building blocks for molecular quantum information devices.
Abstract We study the thermal evolution of entanglement, Bell non-locality, quantum steering, and correlated coherence in a system constituted of two nitrogen vacancy (NV) centers with dipole-dipole interaction and subjected to an external magnetic field. From the results, we observe that correlated coherence is more resilient than the other resources, so quantum tasks based on correlated coherence survive over a wider temperature range than those relying on non-local quantum correlations: correlated coherence remains nonzero up to k B T ≈ 41.7 GHz, whereas the other three measures vanish below k B T ≈ 0.6 GHz. We also reveal a distinct hierarchy of resilience of these quantum correlation metrics: Bell non-locality is the most fragile resource, followed by Einstein-Podolsky-Rosen (EPR)-steering and negativity. The results also indicate that the NV center parameters can be tuned for the enhancement and preservation of the quantum correlations within this system against thermal fluctuations.
Abstract We consider two ultracold polar symmetric top molecules coupled by dipole-dipole interaction in an external electric field with appreciable intensity gradient, serving as the physical carrier of quantum information. Each molecule is induced to undergo pendular oscillations under the strong static electric field. Based on the pendular states of polar symmetric top molecules as candidate qubits, we investigate the bipartite quantum correlations of the two polar molecular system for the thermal equilibrium states, characterized by negativity and quantum discord, and then analyze the corresponding coherence, measured by relative entropy and l1 norm. Furthermore, we also examine the dynamics of the entanglement and coherence of the system in the presence of intrinsic decoherence, and explore the relations of their temporal evolution with various physical system parameters for two different initial Bell states. It is found that quantum correlations and coherence of the two polar molecules in pendular states can be manipulated by adjusting appropriate reduced variables including external electric field, dipole-dipole interaction, ambient temperature and decoherence factor. Our findings could be used for molecular quantum computing based on rotational states.
Abstract We investigate the dynamics of entanglement and quantum coherence between the pseudospin and valley indices of individual electrons in two-dimensional graphene, thermalized at an equilibrium temperature T . The system is modeled by an effective Dirac-like Hamiltonian describing a graphene valley-pseudospin qubit under polarized laser driving, including sublattice-dependent scattering process, while the thermal fluctuations are accounted through the standard Gibbs thermal state. Entanglement between the two degrees of liberty of electrons is quantified using concurrence, and coherence with the system is measured employing the relative entropy of coherence. The findings demonstrate that the behavior of entanglement and coherence under thermal noise strongly depends on the scattering strength, wavevector components, and electromagnetic field. Additionally, our results indicate that the strong polarized fields ( ξ 0 = 8 meV 2 ) with low-frequency ( ω = 0.06 eV ) can be employed to enhance the robustness of thermal entanglement and coherence of the system at intermediate temperatures. We also explore the impact of the other system parameters, like scattering strength and wavevector components, in enhancing and preserving quantum resources within graphene-based systems, noting particularly that the relative entropy of coherence is more resilient than concurrence against thermal decoherence.