arXiv subjects

Hui-hui Miao

Publications and source records attributed to Hui-hui Miao.

15 recordsLinked to original sources

arXiv2026

Studying the effect of phonon coherence and inflow on hydrogen bond formation in the $[(\mathrm{H}_2\mathrm{O})_2]^m$ cluster

We propose a simplified open-quantum-system model for hydrogen-bond formation in water clusters, where each subsystem is mapped to a $λ$-type three-level system coupled to two effective phonon modes: a micro-vibration mode ($Ω_{\mathrm{hyd}}$) representing the O--H stretching vibration, and a macro-displacement mode ($Ω_{\mathrm{dist}}$) representing the intermolecular donor-acceptor motion. The $[(\mathrm{H}_2\mathrm{O})_2]^m$ cluster is studied for $m=2$ to $6$ in the incoherent case (independent phonon modes) and the coherent case (shared phonon modes). We find that phonon coherence significantly alters the dynamics. In the dissipative case, coherence induces a redistribution of steady-state populations: intermediate hydrogen-bond counts are enhanced while edge counts are suppressed -- a ``squeezing'' effect explained by the interplay of subradiant states and dark states. For $m\ge 3$, true dark states emerge, rooted in the permutation symmetry of the system. Inflow of $Ω_{\mathrm{dist}}$ phonons promotes hydrogen bond formation, while inflow of $Ω_{\mathrm{hyd}}$ phonons inhibits it. Our results reveal a nontrivial role of quantum coherence and dark states in hydrogen-bond dynamics, providing a foundation for extending the framework to more complex systems.

quant-ph↗

arXiv2026

Quantum electrodynamic description of ionization of the neutral hydrogen molecule

We investigate hydrogen molecule ionization within a unified framework combining finite-dimensional quantum electrodynamics with the Lindblad master equation, enabling systematic comparison across closed, dissipative, and influx-driven open systems. Our results reveal a universal tendency toward neutral $\mathrm{H}_2$ formation. Photon dissipation ($γ_Ω$) accelerates stabilization, while electron ($γ_\mathrm{e}$) and phonon ($γ_ω$) dissipation play distinct regulatory roles. Particle influx ($μ_k$) induces complex energy redistribution, populating the atomic state $|\mathrm{H},\mathrm{H}\rangle$. The ionization pathway is highly sensitive to initial photon number and composition, which control spin-selective excitation channels. An embedded anode model confirms that orbital hybridization fundamentally constrains the maximum ionization probability to $3/4$. This work provides a unified theoretical foundation for quantum-controlled chemistry and cavity QED experiments.

quant-ph↗

arXiv2026

Simulating and comparing the quantum and classical mechanical motion of two hydrogen atoms

This work presents a comprehensive comparison of quantum-mechanical and classical evolution for nuclear motion within a finite-dimensional quantum chemistry model. We employ a modified Tavis--Cummings--Hubbard model featuring two two-level artificial atoms in optical cavities to simulate the association and dissociation of a neutral hydrogen molecule. The initial conditions leading to the formation and decomposition of the molecule are examined. Dissipation in a Markovian open system is simulated by solving the Lindblad master equation. We compare the quantum and classical descriptions of nuclear motion: quantum mobility is characterized by nuclear tunneling, while classical motion is represented via fluctuations in interaction strengths. The emergence of dark states during dissociation and their significant impact on the evolutionary outcome are also analyzed. Key findings show that classical motion reaches the same final molecular states as quantum tunneling but requires an order-of-magnitude shorter time, with distinct patterns of population evolution. Two singlet dark states are identified that modify the branching ratio between neutral and ionic products.

quant-ph↗

arXiv2026

Non-monotonic population scaling and re-entrant photon number dynamics in the dissipative-pumped Tavis--Cummings model

This paper investigates nonlinear dynamics in the dissipative-pumped Tavis--Cummings model (TCM). Under global excitation constraints, the competition between photon decay and pumping leads to two significant effects. First, the steady-state peak population exhibits a non-monotonic plateau: contrary to the expected monotonic decay trend at high energy levels, intermediate energy levels show comparable peak populations, and this plateau gradually shifts to higher energies and broadens as the number of atoms increases. Second, the average free photon number exhibits re-entrant dynamics. Under strong pumping, the photon number experiences an initial rise and decay, then slowly increases again, exceeding the initial peak when the system is sufficiently large, with clear thresholds in both system size and pumping rate. To reveal these phenomena, we develop a distributed computing framework suitable for large Hilbert spaces to solve the Lindblad master equation. By exploiting the sparsity of the jump operator and combining it with Cannon's algorithm, we reduce the complexity of the non-unitary terms from $\mathcal{O}(MN^3)$ to $\mathcal{O}(MN)$. Furthermore, the dynamic subspace construction method effectively eliminates redundant quantum states and significantly compresses the Hilbert space. Although the scalability of unitary evolution is limited by communication overhead, the framework as a whole still achieves efficient parameter space exploration. This study demonstrates that the dissipative-pumped TCM serves as a rich platform for studying non-equilibrium nonlinear dynamics and provides a practical numerical tool for its investigation.

quant-ph↗

arXiv2026

Zeno and Anti-Zeno Effects in Dark-State Dynamics Under Thermal Dephasing: A Numerical Study

The quantum Zeno and anti-Zeno effects describe how frequent measurements can either suppress or accelerate quantum dynamics. While extensively studied in various platforms, their manifestation in dark-state dynamics remains largely unexplored. Here we investigate the stability of dark states in a cavity quantum electrodynamics (QED) system consisting of two atoms coupled to a single-mode cavity, subject to thermal dephasing that models continuous quantum non-demolition monitoring. Using the Tavis--Cummings model within a Lindblad master equation framework, we perform numerical simulations to investigate how measurement-induced dephasing affects dark-state retention and stabilization time. Through systematic numerical scans, we identify distinct parameter regimes corresponding to Zeno and anti-Zeno behavior: at low dephasing intensities, increasing the measurement strength accelerates the loss of dark-state coherence (anti-Zeno regime), while at higher intensities, it slows down the dynamics and partially recovers dark-state weight (Zeno regime). The transition between these regimes is controlled by the dephasing rates, the cavity photon exchange, and the asymmetry in atom--field couplings. We show that even under strong dephasing, a finite dark-state component persists, demonstrating remarkable robustness. Our results provide insights into the interplay between measurement back-action and decoherence in open quantum systems, with implications for quantum control and information storage.

quant-ph↗

arXiv2026

Single-Photon Motion in a Two-Dimensional Plane: Confinement and Boundary Escape

This paper investigates the motion of a single photon in a two-dimensional plane under closed and open boundary conditions. We employ two methods to construct the Hilbert space: Method A, based on the standard second-quantization formalism, and Method B, based on a non-standard approach. By eliminating redundant quantum states, we obtain a reduced Hilbert space with significantly lower dimensionality, thereby improving the efficiency of numerical simulations. In a closed system, the two methods are equivalent, and their unitary evolution results are identical. The probability distribution diffuses outward from the center and exhibits a significant rebound after reaching the boundary. In an open system, Method B, by incorporating more dissipation channels, provides a more accurate description of the photon escape process at the boundary. The probability curves obtained from the two methods completely overlap before reaching the boundary. After the boundary is reached, a slight difference appears, but this difference does not amplify with evolution and tends to converge in the later stage. Method B yields a slightly higher dissipative-state probability, indicating that the photon escapes faster. Visualization of the two-dimensional probability distribution shows that the three scenarios (closed system, open system with Method A, and open system with Method B) exhibit identical probability distributions before reaching the boundary. After the boundary is reached, the open systems exhibit significant probability loss, which increases rapidly with evolution. The probability distribution patterns of the two open systems are highly similar, exhibiting synchronized evolution.

quant-ph↗

arXiv2025

Simulating and investigating various dynamic aspects of the $\rm{H}_2\rm{O}$-related hydrogen bond model

A basic model of hydrogen bonds related to $\rm{H}_2\rm{O}$, which is adapted from the Jaynes--Cummings model, is suggested, and its different dynamic features are studied theoretically. In this model, the making and breaking of hydrogen bonds happen alongside the creation and destruction of phonons in the surrounding medium. A number of simplifying assumptions about the dynamics of the molecules involved are used. The rotating wave approximation is applied under consideration of the strong-coupling condition. Dissipative dynamics under the Markovian approximation is obtained through solving the quantum master equation -- Lindbladian. We obtain the probabilities of reaction channels involving hydrogen bonds based on the parameters of the external environment. Differences between unitary and dissipative evolutions are discussed. Consideration is given to the effects of all kinds of potential interactions and dissipation on evolution. Consideration is also given to the reverse processes (inflows) of dissipation. The results show that the magnitude changes of the interactions and dissipation have a slight effect on the formation of hydrogen bonds, but the variation of the inflows significantly affects the formation of hydrogen bonds. According to the findings, the dynamics of the $\rm{H}_2\rm{O}$-related hydrogen bond model can be controlled by selectively choosing system parameters. The results will be used as a basis to extend the research to more complex chemical and biological models in the future.

quant-ph↗

arXiv2025

Distributed computing quantum unitary evolution

A distributed computing approach to solve the curse of dimensionality, caused by the complex quantum system modeling, is discussed. With the help of Cannon's algorithm, the distributed computing transformation of numerical method for simulating quantum unitary evolution is achieved. Based on the Tavis-Cummings model, a large number of atoms are added into the optical cavity to obtain a high-dimensional quantum closed system, implemented on the supercomputer platform. The comparison of time cost and speedup of different distributed computing strategies is discussed.

quant-ph↗

arXiv2024

Entanglement and quantum discord in the cavity QED models

We investigate the quantum correlation between light and matter in bipartite quantum systems, drawing on the Jaynes-Cummings model and the Tavis-Cummings model, which are well-established in cavity quantum electrodynamics. Through the resolution of the quantum master equation, we can derive the dissipative dynamics in open systems. To assess the extent of quantum correlation, several measures are introduced: von Neumann entropy, concurrence and quantum discord. The effects of initial entanglement and dissipation intensity on quantum discord are carefully examined. Furthermore, we examined the dynamics of quantum discord within the $\rm{OH}^+$ model.

quant-ph↗

arXiv2024

Investigating entropic dynamics of multiqubit cavity QED system

Entropic dynamics of a multiqubit cavity quantum electrodynamics system is simulated and various aspects of entropy are explored. In the modified version of the Tavis-Cummings-Hubbard model, atoms are held in optical cavities through optical tweezers and can jump between different cavities through the tunneling effect. The interaction of atom with the cavity results in different electronic transitions and the creation and annihilation of corresponding types of photon. Electron spin and the Pauli exclusion principle are considered. Formation and break of covalent bond and creation and annihilation of phonon are also introduced into the model. The system is bipartite. The effect of all kinds of interactions on entropy is studied. And the von Neumann entropy of different subsystems is compared. The results show that the entropic dynamics can be controlled by selectively choosing system parameters, and the entropy values of different subsystems satisfy certain inequality relationships.

quant-ph↗

arXiv2024

Supercomputer model of finite-dimensional quantum electrodynamics applications

A general scheme is given for supercomputer simulation of quantum processes, which are described by various modifications of finite-dimensional cavity quantum electrodynamics models, including Jaynes-Cummings-Hubbard model and Tavis-Cummings-Hubbard model. Conclusions and recommendations are illustrated using two examples: approximate model of hydrogen bonding and model of photon motion on a two-dimensional plane.

physics.comp-ph↗

arXiv2024

Investigating the quantum discord dynamics with a bipartite split of the multiqubit system in the correlated photon-matter model

In this paper, we try to study the quantum discord dynamics in a complex correlated photon-matter model, which is modified from the Tavis-Cummings-Hubbard model - a common cavity quantum electrodynamics model. The target model consists of two hydrogen atoms. A neutral hydrogen molecule can be obtained through an association reaction and disintegrated through dissociation reaction. The formation and breaking of covalent bond is accompanied by the creation and annihilation of phonon. Compared with previous efforts, studying the quantum discord dynamics of this complicated system is more challenging than it was for the simple quantum system, which consisted of a single two-level atom. For convenience, we adopt a bipartite split of the multiqubit system and the two-qubit von Neumann projective measurement on the observed subsystem. We attempt to examine the dissipative dynamics in open quantum system in addition to the unitary evolution of closed quantum system. We are dedicated to identifying the regularity of quantum correlation as the basis for future research on more complex quantum systems, specifically including the impacts of nuclei tunneling effect, covalent bond formation strength, and dissipation intensities of photon (phonon) on quantum discord.

quant-ph↗

arXiv2023

Comparing the effects of nuclear and electron spins on the formation of neutral hydrogen molecule

We introduce the association-dissociation model of neutral hydrogen molecule, which is a finite-dimensional cavity quantum electrodynamics model of chemistry with two two-level artificial atoms on quantum dots placed in optical cavities, based on the Tavis-Cummings-Hubbard model. The motion of the nuclei can be represented in quantum form. Electron spin transition and spin-spin interaction between electron and nucleus are both considered. Consideration is also given to the effects of nuclear and electron spins on the formation of neutral hydrogen molecule.

quant-ph↗

arXiv2023

Using a modified version of the Tavis-Cummings-Hubbard model to simulate the formation of neutral hydrogen molecule

A finite-dimensional chemistry model with two two-level artificial atoms on quantum dots positioned in optical cavities, called the association-dissociation model of neutral hydrogen molecule, is described. The initial circumstances that led to the formation of the synthetic neutral hydrogen molecule are explained. In quantum form, nuclei's mobility is portrayed. The association of atoms in the molecule is simulated through a quantum master equation, incorporating hybridization of atomic orbitals into molecular - depending on the position of the nuclei. Consideration is also given to electron spin transitions. Investigated are the effects of temperature variation of various photonic modes on quantum evolution and neutral hydrogen molecule formation. Finally, a more precise model including covalent bond and simple harmonic oscillator (phonon) is proposed.

quant-ph↗

arXiv2021

About chemical modifications of finite dimensional models of QED

Suggestion of modifications of finite-dimensional QED models are proposed for interpreting chemical reactions in terms of artificial atoms and molecules on quantum dots placed in optical cavities. Moving both photons and atoms is possible between the cavities. Super dark states of diatomic systems are described, in which the motion of atoms between cavities is impossible due quantum interference. Chemical processes with two level atoms and three level atoms with lambda spectrum are schematically modeled by solving the single quantum master equation with the Lindblad operators of photon leakage from the cavity and influx into it; association and dissociation reactions then differ only in the initial states. An example is given of the optical interpretation of the transition of an electron from atom to atom in terms of the multilevel Tavis-Cummings-Hubbard model with an estimate of the accuracy. Polyatomic chemical reactions are too complex for accurate modeling. Our method of rough interpretation helps to obtain their long-term results, for example, the form of stationary states of reagents, such as dark and super dark states.

quant-ph↗