arXiv subjects

Kyungsun Moon

Publications and source records attributed to Kyungsun Moon.

At least 19 recordsLinked to original sources

arXiv2026

Performance and Stability of Quantum Krylov Diagonalization for the Hubbard Model

Quantum Krylov diagonalization (QKD) has emerged as a promising hybrid quantum-classical approach for estimating ground-state properties of many-body systems on near-term quantum devices. In this work, we investigate the convergence, stability, and hardware performance of QKD for the one-dimensional Hubbard model with periodic boundary conditions. Building upon our previously developed low-depth Jordan--Wigner implementation, which reduces the number of two-qubit (CNOT) gates required for quantum time evolution, we perform a systematic study of the influence of the Krylov dimension, Hamiltonian evolution parameters, system size, interaction strength, and singular-value truncation (SVT) on the convergence of the method. Our results show that the performance of QKD is governed by a delicate interplay between the low-energy spectral structure of the Hamiltonian and numerical stability. In particular, systems with near-closing energy gaps require longer evolution times to efficiently resolve nearby eigenstates, while the evolution time, Krylov dimension, Trotter number, and SVT threshold must be carefully balanced to avoid numerical instabilities and accumulated time-discretization errors. This analysis provides practical guidelines for selecting algorithmic parameters in QKD. Finally, we demonstrate the algorithm on IBM quantum hardware, where the experimental results reproduce the convergence trends predicted by ideal simulations using only lightweight readout-error mitigation and a modest measurement budget. Together, these results demonstrate that QKD is a practical and hardware-efficient approach for studying strongly correlated fermionic systems on current NISQ quantum processors.

quant-ph↗

arXiv2026

Hybrid Quantum Algorithms for Computational Chemistry: Application to the Pyridine-Li ion Complex

Accurately capturing electron correlation in large-scale molecular systems remains one of the foremost challenges in quantum chemistry and a primary driver for the development of quantum algorithms. Classical configuration-interaction methods, while rigorous, suffer from exponential scaling, rendering them impractical for large or strongly correlated systems. Overcoming this limitation is central to realizing the promise of quantum computing in chemistry. Here, we investigate the pyridine-Li ion complex using three quantum algorithms: the variational quantum eigensolver (VQE), the subspace quantum diagonalization (SQD) method, and the recently introduced handover iterative VQE (HI-VQE). Our results demonstrate how new generations of hybrid quantum-classical frameworks overcome the scalability and noise sensitivity that constrain conventional VQE approaches. SQD and HI-VQE achieve ground-state energy calculations for problem sizes inaccessible to classical computation, marking a clear advance toward quantum advantage. In particular, HI-VQE enables calculations within active spaces as large as (24e,22o), requiring 44 qubits-well beyond the reach of classical CASCI and VQE. This capability provides a systematic pathway for incorporating increasing numbers of electrons into quantum treatment, thereby approaching exact molecular energies. Importantly, both SQD and HI-VQE exhibit robustness against hardware noise, a critical improvement over earlier approaches. By enabling quantum simulations of molecular systems previously deemed intractable, SQD and HI-VQE offer a realistic route toward practical quantum advantage in computational chemistry. The comparison between HI-VQE and SQD shows that optimizing circuit parameters is crucial for accurate simulation.

physics.chem-ph↗

arXiv2025

Quantum simulation approach to ultra-weak magnetic anisotropy in a frustrated spin-1/2 antiferromagnet

The intrinsic equivalence between electron spin and qubit offers a natural foundation for quantum simulations of magnetic materials. However, incorporating magnetocrystalline anisotropy (MCA), a key feature of real magnets, remains a major challenge. Here, we develop a quantum simulation framework for MCA in CuSb2O6, a spin-1/2 antiferromagnet with alternating ferromagnetic chains arising from frustrated, anisotropic exchange interactions in a nearly square lattice. The $\mathrm{Cu}^{2+}$ spin network is modeled as a four-qubit square lattice, with four paired ancilla qubits introduced to encode angle-dependent MCA. This two-qubit representation per spin site resolves the limitation that squared Pauli operators yield only the identity, enabling MCA terms to be faithfully embedded into quantum circuits. Using the variational quantum eigensolver, we determine an exceptionally small easy-axis MCA constant, just 0.00022% of the nearest-neighbor exchange interaction, yet sufficient to drive a spin-flop transition with $90^{\circ}$ spin reorientation and strong angular variation in magnetic torque. Beyond this regime, the simulations uncover a half-saturated magnetic phase at ultra-high fields, stabilized by anisotropic next-nearest-neighbor interactions. Our findings demonstrate the feasibility of resource-efficient quantum simulations of complex magnetic phenomena in real materials.

quant-ph↗

arXiv2025

Quantum simulation of the Hubbard model on a graphene hexagon: Strengths of IQPE and noise constraints

Quantum computing offers transformative potential for simulating real-world materials, providing a powerful platform to investigate complex quantum systems across quantum chemistry and condensed matter physics. In this work, we leverage this capability to simulate the Hubbard model on a six-site graphene hexagon using Qiskit, employing the Iterative Quantum Phase Estimation (IQPE) and adiabatic evolution algorithms to determine its ground-state properties. Our results show that a single Slater determinant is sufficient to initialize IQPE and accurately recover ground-state energies (GSEs) in small-scale Hubbard systems. In noiseless simulations, IQPE converges within a few iterations to exact GSEs, while adiabatic simulations yield charge and spin densities and correlation functions in excellent agreement with exact diagonalization. However, deploying IQPE and adiabatic evolution on today's noisy quantum hardware remains highly challenging. To investigate these limitations in IQPE, we use the Qiskit Aer simulator with a custom noise model tailored to the characteristics of IBM's real hardware. This model includes realistic depolarizing gate errors, thermal relaxation, and readout noise, allowing us to explore how these factors degrade simulation accuracy. Further, we implement the IQPE algorithm on IBM's ibm_strasbourg and ibm_fez devices for a reduced three-site Hubbard model, enabling direct comparison between simulated and real hardware noise. While ibm_fez runs closely match exact results, discrepancies highlight the gap between modeled and physical noise. This study demonstrates both the IQPE's potential and current limitations for simulating strongly correlated systems under realistic conditions.

quant-ph↗

arXiv2024

Quantum-centric Supercomputing for Materials Science: A Perspective on Challenges and Future Directions

Computational models are an essential tool for the design, characterization, and discovery of novel materials. Hard computational tasks in materials science stretch the limits of existing high-performance supercomputing centers, consuming much of their simulation, analysis, and data resources. Quantum computing, on the other hand, is an emerging technology with the potential to accelerate many of the computational tasks needed for materials science. In order to do that, the quantum technology must interact with conventional high-performance computing in several ways: approximate results validation, identification of hard problems, and synergies in quantum-centric supercomputing. In this paper, we provide a perspective on how quantum-centric supercomputing can help address critical computational problems in materials science, the challenges to face in order to solve representative use cases, and new suggested directions.

quant-ph↗

arXiv2022

Large anomalous Hall effect and anisotropic magnetoresistance in intrinsic nanoscale spin-valve-type structure of an antiferromagnet

A spin valve is a prototype of spin-based electronic devices found on ferromagnets, in which an antiferromagnet plays a supporting role. Recent findings in antiferromagnetic spintronics show that an antiferromagnetic order in single-phase materials solely governs dynamic transport, and antiferromagnets are considered promising candidates for spintronic technology. In this work, we demonstrated antiferromagnet-based spintronic functionality on an itinerant Ising antiferromagnet of Ca0.9Sr0.1Co2As2 by integrating nanoscale spin-valve-type structure and investigating anisotropic magnetic properties driven by spin-flips. Multiple stacks of 1 nm thick spin-valve-like unit are intrinsically embedded in the antiferromagnetic spin structure. In the presence of a rotating magnetic field, a new type of the spin-valve-like operation was observed for large anomalous Hall conductivity and anisotropic magnetoresistance, whose effects are maximized above the spin-flip transition. In addition, a joint experimental and theoretical study provides an efficient tool to read out various spin states, which scheme can be useful for implementing extensive spintronic applications.

cond-mat.str-el↗

arXiv2022

Sign-tunable anisotropic magnetoresistance and electrically detectable dual magnetic phases in a helical antiferromagnet

The helimagnetic order describes a non-collinear spin texture of antiferromagnets, arising from competing exchange interactions. Although collinear antiferromagnets are elemental building blocks of antiferromagnetic (AFM) spintronics, the potential of implementing spintronic functionality in non-collinear antiferromagnets has not been clarified thus far. Here, we propose an AFM helimagnet of EuCo2As2 as a novel single-phase spintronic material that exhibits a remarkable sign reversal of anisotropic magnetoresistance (AMR). The contrast in the AMR arises from two electrically distinctive magnetic phases with spin reorientation driven by magnetic field lying on the easy-plane, which switches the sign of the AMR from positive to negative. Further, various AFM memory states associated with the evolution of the spin structure under magnetic fields were identified theoretically, based on an easy-plane anisotropic spin model. These results reveal that non-collinear antiferromagnets hold potential for developing spintronic devices.

cond-mat.str-el↗

arXiv2018

Hybrid Two-Qubit Gate using Circuit QED System with Triple-Leg Stripline Resonator

We theoretically propose a circuit QED system implemented with triple-leg stripline resonator (TSR). Unlikely from linear stripline resonator, the fundamental intra-cavity microwave modes of the TSR are two-fold degenerate. When a superconducting qubit is placed near one of the TSR legs, one fundamental mode is directly coupled to the qubit, while the other one remains uncoupled. Our system closely resembles an optical cavity QED system, where an atom in a cavity couples only to the incident photon with a specific polarization by placing a polarization beamsplitter in front of the optical cavity. Using our circuit QED system, we have theoretically studied a two-qubit quantum gate operation in a hybrid qubit composed of flying microwave qubit and superconducting qubit. We have demonstrated that for the hybrid qubit, the quantum controlled phase flip (CPF) gate can be reliably implemented for the experimentally available set of parameters.

quant-ph↗

arXiv2018

Theory of Graphene-based Plasmonic Switch

We have theoretically studied a graphene-based plasmonic waveguide, which can gate the transmission of a surface plasmon polariton (SPP) localized at the graphene-semiconductor interface. When a gate voltage is applied above a certain critical value, the charge density modulation in the quasi two-dimensional electron gas formed in the inversion layer can induce a local plasma resonance. Since the local plasma resonance is strongly coupled to the SPP, it can suppress the transmission of the SPP. By calculating the propagation length of the SPP with varying gate voltage, we have obtained the sharp switching line shape. We have demonstrated that the wavelength of the SPP can be reduced below ~1/100 of that of an incident light and the propagation length of the SPP can be significantly reduced by a factor of ~15 upon switching. This ensures that our plasmonic waveguide can operate effectively as a plasmonic switch for the SPP.

cond-mat.mes-hall↗

arXiv2017

Random Walk by Majority Rule and Lévy walk

We have studied a random walk model based on majority rule. At a given instant, the moving direction of a cargo is determined by motor coordination mediated by a tug-of-war mechanism between two kinds of competing motor proteins. We have demonstrated that the probability distribution $P(t)$ for unidirectional run time $t$ of a cargo can be remarkably described by Levy walk for $t<γ_u^{-1}$ as $P(t)\propto t^{-3/2} e^{-γ_u t}$ with $γ_u$ being the unbinding rate of a motor protein from microtubule. The mean squared displacement of a cargo changes from super-diffusive behavior $\langle X^2\rangle\propto t^2$ for $t<γ_u^{-1}$ to normal diffusion $\langle X^2\rangle\propto t$ for $t>γ_u^{-1}$. By considering the correlation effect in binding of a motor protein to microtubule, we have shown that Levy walk behavior of $P(t)\propto t^{-{3/2}}$ persists robustly against correlations only adding an effective cutoff time $γ_b/γ_c^2$ with $γ_c$ representing the amount of correlations.

physics.bio-ph↗

arXiv2013

Photon Number Splitting of Squeezed Light by a Single Qubit in Circuit QED

We theoretically propose an efficient way to generate and detect squeezed light by a single qubit in circuit QED. By tuning the qubit energy splitting close to the fundamental frequency of the first harmonic mode (FHM) in a transmission line resonator and placing the qubit at the nodal point of the third harmonic mode, one can generate the resonantly enhanced squeezing of the FHM upon pumping with the second harmonic mode. In order to investigate the photon number splitting for the squeezed FHM, we have numerically calculated the qubit absorption spectrum, which exhibits regularly spaced peaks at frequencies separated by twice the effective dispersive shift. It is also shown that adding a small pump field for the FHM makes additional peaks develop in between the dominant ones as well.

quant-ph↗

arXiv2011

Quantum Spin Hall Effect in Graphene Nanoribbons: Effect of Edge Geometry

There has been tremendous recent progress in realizing topological insulator initiated by the proposal of Kane and Mele for the graphene system. They have suggested that the odd $Z_2$ index for the graphene manifests the spin filtered edge states for the graphene nanoribbons, which lead to the quantum spin Hall effect(QSHE). Here we investigate the role of the spin-orbit interaction both for the zigzag and armchair nanoribbons with special care in the edge geometry. For the pristine zigzag nanoribbons, we have shown that one of the $σ$ edge bands located near E=0 lifts up the energy of the spin filtered chiral edge states at the zone boundary by warping the $π$-edge bands, and hence the QSHE does not occur. Upon increasing the carrier density above a certain critical value, the spin filtered edge states are formed leading to the QSHE. We suggest that the hydrogen passivation on the edge can recover the original feature of the QSHE. For the armchair nanoribbon, the QSHE is shown to be stable. We have also derived the real space effective hamiltonian, which demonstrates that the on-site energy and the effective spin orbit coupling strength are strongly enhanced near the ribbon edges. We have shown that the steep rise of the confinement potential thus obtained is responsible for the warping of the $π$-edge bands.

cond-mat.str-el↗

arXiv2008

Edge states of zigzag bilayer graphite nanoribbons

Electronic structures of the zigzag bilayer graphite nanoribbons(Z-BGNR) with various ribbon width $N$ are studied within the tight binding approximation. Neglecting the inter-layer hopping amplitude $γ_4$, which is an order of magnitude smaller than the other inter-layer hopping parameters $γ_1$ and $γ_3$, there exist two fixed Fermi points $\pm k^*$ independent of the ribbon width with the peculiar energy dispersion near $k^*$ as $\ve (k) \sim \pm (k-k^*)^N$. By investigating the edge states of the Z-BGNR, we notice that the trigonal warping of the bilayer graphene sheets are reflected on in the edge state structure. With the inclusion of $γ_4$, the above two Fermi points are not fixed, but drift toward the vicinity of the Dirac point with the increase of the width $N$ as shown by the finite scaling method and the peculiar dispersions change to the parabolic ones. The edge magnetism of the Z-BGNR is also examined by solving the half-filled Hubbard Hamiltonian for the ribbon using the Hartree-Fock approximation. We have shown that within the same side of the edges, the edge spins are aligned ferromagnetically for the experimentally relevant set of parameters.

cond-mat.mes-hall↗

arXiv2004

Non-commutative field theory approach to two-dimensional vortex liquid system

We investigate the non-commutative (NC) field theory approach to the vortex liquid system restricted to the lowest Landau level (LLL) approximation. NC field theory effectively takes care of the phase space reduction of the LLL physics in a $\star$-product form and introduces a new gauge invariant form of a quartic potential of the order parameter in the Ginzburg-Landau (GL) free energy. This new quartic interaction coupling term has a non-trivial equivalence relation with that obtained by Brézin, Nelson and Thiaville in the usual GL framework. The consequence of the equivalence is discussed.

cond-mat.supr-con↗

arXiv2002

Ferromagnetism in diluted magnetic semiconductor quantum dot arrays embedded in semiconductors

We present an Anderson-type model Hamiltonian with exchange coupling between the localized spins and the confined holes in the quantum dots to study the ferromagnetism in diluted magnetic semiconductor (DMS) quantum dot arrays embedded in semiconductors. The hybridization between the quantum-confined holes in the DMS quantum dots and the itinerant holes in the semiconductor valence band makes hole transfer between quantum dots, which can induce the long range ferromagnetic order of the localized spins. In addition, it makes the carrier spins both in the DMS quantum dots and in the semiconductors polarized. The spontaneous magnetization of the localized spins and the spin polarization of the holes are calculated using both the Weiss mean field approximation and the self-consistent spin wave approximation, which are developed for the present model.

cond-mat.mes-hall↗

arXiv2001

Noncommutative field theory description of quantum Hall skyrmions

We revisit the quantum Hall system with no Zeeman splitting energy using the noncommutative field theory. We analyze the BPS condition for the delta-function interaction near the filling factor $ν=1$. Multi-skyrmions are shown to saturate the BPS bounds. The dimension of the moduli space of $k$ skyrmions is $4k+2$. Advantage of the noncommutative field description is demonstrated through the derivation of the effective nonlinear $σ$ model Lagrangian.

hep-th↗

arXiv2001

Tunneling magnetoresistance in diluted magnetic semiconductor tunnel junctions

Using the spin-polarized tunneling model and taking into account the basic physics of ferromagnetic semiconductors, we study the temperature dependence of the tunneling magnetoresistance (TMR) in the diluted magnetic semiconductor (DMS) trilayer heterostructure system (Ga,Mn)As/AlAs/(Ga,Mn)As. The experimentally observed TMR ratio is in reasonable agreement with our result based on the typical material parameters. It is also shown that the TMR ratio has a strong dependence on both the itinerant-carrier density and the magnetic ion density in the DMS electrodes. This can provide a potential way to achieve larger TMR ratio by optimally adjusting the material parameters.

cond-mat.str-el↗

arXiv1997

An accurate effective action for `baby' to `adult' skyrmions

Starting with a Chern-Simons theory, we derive an effective action for interacting quantum Hall skyrmions that takes into account both large-distance physics and short-distance details as well. We numerically calculate the classical static skyrmion profile from this action and find excellent agreement with other, microscopic calculations over a wide range of skyrmion sizes including the experimentally relevant one. This implies that the essential physics of this regime might be captured by a continuum classical model rather than resorting to more microscopic approaches. We also show that the skyrmion energy closely follows the formula suggested earlier by Sondhi et al. for a broad parameter range of interest as well.

cond-mat.mes-hall↗