arXiv subjects

Sarah Mostame

Publications and source records attributed to Sarah Mostame.

At least 19 recordsLinked to original sources

arXiv2025

Evaluating Sample-Based Krylov Quantum Diagonalization for Heisenberg Models with Applications to Materials Science

We evaluate the Sample-based Krylov Quantum Diagonalization (SKQD) algorithm on one- and two-dimensional Heisenberg models, including strongly correlated regimes in which the ground state is dense. Using problem-informed initial states and magnetization-sector sweeps, SKQD accurately reproduces ground-state energies and field-dependent magnetization across a range of anisotropies. Benchmarks against DMRG and exact diagonalization show consistent qualitative agreement, with accuracy improving systematically in more anisotropic regimes. We further demonstrate SKQD on quantum hardware by implementing 18- and 30-qubit Heisenberg chains, obtaining magnetization curves that match theoretical expectations. Simulations on small 2D square-lattice systems further demonstrate that the method applies effectively beyond 1D geometries.

quant-ph↗

arXiv2025

Quantum Algorithm for Protein Structure Prediction Using the Face-Centered Cubic Lattice

In this work, we present the first implementation of the face-centered cubic (FCC) lattice model for protein structure prediction with a quantum algorithm. Our motivation to encode the FCC lattice stems from our observation that the FCC lattice is more capable in terms of modeling realistic secondary structures in proteins compared to other lattices, as demonstrated using root mean square deviation (RMSD). We utilize two quantum methods to solve this problem: a polynomial fitting approach (PolyFit) and the Variational Quantum Eigensolver with constraints (VQEC) based on the Lagrangian duality principle. Both methods are successfully deployed on Eagle R3 (ibm_cleveland) and Heron R2 (ibm_kingston) quantum computers, where we are able to recover ground state configurations for the 6-amino acid sequence KLVFFA under noise. A comparative analysis of the outcomes generated by the two QPUs reveals a significant enhancement (reaching nearly a two-fold improvement for PolyFit and a three-fold improvement for VQEC) in the prediction and sampling of the optimal solution (ground state conformations) on the newer Heron R2 architecture, highlighting the impact of quantum hardware advancements for this application.

quant-ph↗

arXiv2025

Superdiffusion resilience in Heisenberg Chains with 2D interactions on a quantum processor

Observing superdiffusive scaling in the spin transport of the integrable 1D Heisenberg model is one of the key discoveries in non-equilibrium quantum many-body physics. Despite this remarkable theoretical development and the subsequent experimental observation of the phenomena in KCuF$_3$, real materials are often imperfect and contain integrability breaking interactions. Understanding the effect of such terms on the superdiffusion is crucial in identifying connections to such materials. Current quantum hardware has already ascertained its utility in studying such non-equilibrium phenomena by simulating the superdiffusion of the 1D Heisenberg model. In this work, we perform a quantum simulation of the superdiffusion breakdown by generalizing the superdiffusive Floquet-type 1D Heisenberg model to a general 2D model. We comprehensively study the effect of different 2D interactions on the superdiffusion breakdown by tuning up their strength from zero, corresponding to the 1D Heisenberg chain, to finite nonzero values. We observe that certain 2D interactions are more resilient against superdiffusion breakdown than others and that the $SU(2)$ preserving 2D interaction has the highest resilience among all the 2D interactions we study. Importantly, this observed resilience has direct implications for sustaining superdiffusive spin transport in two-dimensional lattices. We reason out the relative resilience against the superdiffusion breakdown through an analysis of the scattering coefficients off the 2D interaction in otherwise 1D chains. The relative resilience of different interaction types against superdiffusion breakdown was also captured in quantum hardware with remarkable accuracy, further establishing the current quantum hardware's applicability in simulating interesting non-equilibrium quantum many-body phenomena.

quant-ph↗

arXiv2024

Measuring central charge on a universal quantum processor

Central charge is a fundamental quantity in conformal field theories (CFT), and plays a crucial role in determining universality classes of critical points in two-dimensional systems. Despite its significance, the measurement of central charge has remained elusive thus far. In this work, we present the first experimental determination of the central charge using a universal quantum processor. Using a classically optimized variational quantum circuit and employing advanced error mitigation techniques, we successfully prepare ground states of various $1+1D$ quantum spin chain models at their critical point. Leveraging the heavy-hex structure of IBM quantum processors, we are able to implement periodic boundary conditions and mitigate boundary effects. We then extract the central charge from the scaling behavior of the sub-leading term of R{\'{e}}nyi generalizations of classical Shannon entropy, computed for local Pauli measurements in the conformal bases ($\sigma^{z}$ and $\sigma^x$). The experimental results are consistent with the known central charge values for the transverse field Ising (TFI) chain ($c=0.5$) and the XXZ chain ($c=1$), achieving relative errors as low as 5 percent.

quant-ph↗

arXiv2023

Refining resource estimation for the quantum computation of vibrational molecular spectra through Trotter error analysis

Accurate simulations of vibrational molecular spectra are expensive on conventional computers. Compared to the electronic structure problem, the vibrational structure problem with quantum computers is less investigated. In this work we accurately estimate quantum resources, such as number of logical qubits and quantum gates, required for vibrational structure calculations on a programmable quantum computer. Our approach is based on quantum phase estimation and focuses on fault-tolerant quantum devices. In addition to asymptotic estimates for generic chemical compounds, we present a more detailed analysis of the quantum resources needed for the simulation of the Hamiltonian arising in the vibrational structure calculation of acetylene-like polyynes of interest. Leveraging nested commutators, we provide an in-depth quantitative analysis of trotter errors compared to the prior investigations. Ultimately, this work serves as a guide for analyzing the potential quantum advantage within vibrational structure simulations.

quant-ph↗

arXiv2022

Recompilation-enhanced simulation of electron-phonon dynamics on IBM Quantum computers

Simulating quantum systems is believed to be one of the first applications for which quantum computers may demonstrate a useful advantage. For many problems in physics, we are interested in studying the evolution of the electron-phonon Hamiltonian, for which efficient digital quantum computing schemes exist. Yet to date, no accurate simulation of this system has been produced on real quantum hardware. In this work, we consider the absolute resource cost for gate-based quantum simulation of small electron-phonon systems as dictated by the number of Trotter steps and bosonic energy levels necessary for the convergence of dynamics. We then apply these findings to perform experiments on IBM quantum hardware for both weak and strong electron-phonon coupling. Despite significant device noise, through the use of approximate circuit recompilation we obtain electron-phonon dynamics on current quantum computers comparable to exact diagonalisation. Our results represent a significant step in utilising near term quantum computers for simulation of quantum dynamics and highlight the novelty of approximate circuit recompilation as a tool for reducing noise.

quant-ph↗

arXiv2021

Improving the variational quantum eigensolver using variational adiabatic quantum computing

The variational quantum eigensolver (VQE) is a hybrid quantum-classical algorithm for finding the minimum eigenvalue of a Hamiltonian that involves the optimization of a parameterized quantum circuit. Since the resulting optimization problem is in general nonconvex, the method can converge to suboptimal parameter values which do not yield the minimum eigenvalue. In this work, we address this shortcoming by adopting the concept of variational adiabatic quantum computing (VAQC) as a procedure to improve VQE. In VAQC, the ground state of a continuously parameterized Hamiltonian is approximated via a parameterized quantum circuit. We discuss some basic theory of VAQC to motivate the development of a hybrid quantum-classical homotopy continuation method. The proposed method has parallels with a predictor-corrector method for numerical integration of differential equations. While there are theoretical limitations to the procedure, we see in practice that VAQC can successfully find good initial circuit parameters to initialize VQE. We demonstrate this with two examples from quantum chemistry. Through these examples, we provide empirical evidence that VAQC, combined with other techniques (an adaptive termination criteria for the classical optimizer and a variance-based resampling method for the expectation evaluation), can provide more accurate solutions than "plain" VQE, for the same amount of effort.

quant-ph↗

arXiv2021

Considerations for evaluating thermodynamic properties with hybrid quantum-classical computing work-flows

Quantum chemistry applications on quantum computers currently rely heavily on the variational quantum eigensolver (VQE) algorithm. This hybrid quantum-classical algorithm aims at finding ground state solutions of molecular systems based on the variational principle. VQE calculations can be systematically implemented for perturbations to each molecular degree of freedom, generating a Born-Oppenheimer potential energy surface (PES) for the molecule. The PES can then be used to derive thermodynamic properties, which are often desirable for applications in chemical engineering and materials design. It is clear from this process that quantum chemistry applications contain a substantial classical computing component in addition to steps that can be performed using a quantum computer. In order to design efficient work-flows that take full advantage of each hardware-type, it is critical to consider the entire process so that the high-accuracy electronic energies possible from quantum computing are not squandered in the process of calculating thermodynamic properties. We present a summary of the hybrid quantum-classical work-flow to compute thermodynamic properties. This work-flow contains many options that can significantly affect the efficiency and the accuracy of the results, including classical optimizer attributes, number of ansatz repetitions, and how the vibrational Schroedinger equation is solved to determine vibrational modes. We also analyze the effects of these options by employing robust statistics along with simulations and experiments on actual quantum hardware. We show that through careful selection of work-flow options, nearly order-of-magnitude increases in accuracy are possible at equivalent computing time.

physics.chem-ph↗

arXiv2019

Realization of Surface Code Quantum Memory on Systems with Always-On Interactions

We realize Surface Code quantum memories for nearest-neighbor qubits with always-on Ising interactions. This is done by utilizing multi-qubit gates that mimic the functionality of several gates. The previously proposed Surface Code memories rely on error syndrome detection circuits based on CNOT gates. In a two-dimensional planar architecture, to realize a two-qubit CNOT gate in the presence of couplings to other neighboring qubits, the interaction of the target qubit with its three other neighbors must cancel out. Here we present a new error syndrome detection circuit utilizing multi-qubit parity gates. In addition to speed up in the error correction cycles, in our approach, the depth of the error syndrome detection circuit does not grow by increasing the number of qubits in the logical qubit layout. We analytically design the system parameters to realize new five-qubit gates suitable for error syndrome detection in nearest-neighbor two-dimensional array of qubits. The five-qubit gates are designed such that the middle qubit is the target qubit and all four coupled neighbors are the control qubits. In our scheme, only one control parameter of the target qubits must be adjusted to realize controlled-unitary operations. The gate operations are confirmed with a fidelity of >99.9% in a simulated system consists of nine nearest-neighbor qubits.

quant-ph↗

arXiv2015

Towards Outperforming Classical Algorithms with Analog Quantum Simulators

With quantum computers being out of reach for now, quantum simulators are the alternative devices for efficient and more exact simulation of problems that are challenging on conventional computers. Quantum simulators are classified into analog and digital, with the possibility of constructing "hybrid" simulators by combining both techniques. In this paper, we focus on analog quantum simulators of open quantum systems and address the limit that they can beat classical computers. In particular, as an example, we discuss simulation of the chlorosome light-harvesting antenna from green sulfur bacteria with over 250 phonon modes coupled to each electronic state. Furthermore, we propose physical setups that can be used to reproduce the quantum dynamics of a standard and multiple-mode Holstein model. The proposed scheme is based on currently available technology of superconducting circuits consist of flux qubits and quantum oscillators.

quant-ph↗

arXiv2014

Linear-algebraic bath transformation for simulating complex open quantum systems

In studying open quantum systems, the environment is often approximated as a collection of non-interacting harmonic oscillators, a configuration also known as the star-bath model. It is also well known that the star-bath can be transformed into a nearest-neighbor interacting chain of oscillators. The chain-bath model has been widely used in renormalization group approaches. The transformation can be obtained by recursion relations or orthogonal polynomials. Based on a simple linear algebraic approach, we propose a bath partition strategy to reduce the system-bath coupling strength. As a result, the non-interacting star-bath is transformed into a set of weakly-coupled multiple parallel chains. The transformed bath model allows complex problems to be practically implemented on quantum simulators, and it can also be employed in various numerical simulations of open quantum dynamics.

quant-ph↗

arXiv2014

Tunable non-equilibrium dynamics: field quenches in spin ice

We present non-equilibrium physics in spin ice as a novel setting which combines kinematic constraints, emergent topological defects, and magnetic long range Coulomb interactions. In spin ice, magnetic frustration leads to highly degenerate yet locally constrained ground states. Together, they form a highly unusual magnetic state -- a "Coulomb phase" -- whose excitations are pointlike defects -- magnetic monopoles -- in the absence of which effectively no dynamics is possible. Hence, when they are sparse at low temperature, dynamics becomes very sluggish. When quenching the system from a monopole-rich to a monopole-poor state, a wealth of dynamical phenomena occur the exposition of which is the subject of this article. Most notably, we find reaction diffusion behaviour, slow dynamics due to kinematic constraints, as well as a regime corresponding to the deposition of interacting dimers on a honeycomb lattice. We also identify new potential avenues for detecting the magnetic monopoles in a regime of slow-moving monopoles. The interest in this model system is further enhanced by its large degree of tunability, and the ease of probing it in experiment: with varying magnetic fields at different temperatures, geometric properties -- including even the effective dimensionality of the system -- can be varied. By monitoring magnetisation, spin correlations or zero-field Nuclear Magnetic Resonance, the dynamical properties of the system can be extracted in considerable detail. This establishes spin ice as a laboratory of choice for the study of tunable, slow dynamics.

cond-mat.str-el↗

arXiv2013

Efficient Quantum Circuits for Diagonal Unitaries Without Ancillas

The accurate evaluation of diagonal unitary operators is often the most resource-intensive element of quantum algorithms such as real-space quantum simulation and Grover search. Efficient circuits have been demonstrated in some cases but generally require ancilla registers, which can dominate the qubit resources. In this paper, we point out a correspondence between Walsh functions and a basis for diagonal operators that gives a simple way to construct efficient circuits for diagonal unitaries without ancillas. This correspondence reduces the problem of constructing the minimal-depth circuit within a given error tolerance, for an arbitrary diagonal unitary $e^{if(\hat{x})}$ in the $|x>$ basis, to that of finding the minimal-length Walsh-series approximation to the function $f(x)$. We apply this approach to the quantum simulation of the classical Eckart barrier problem of quantum chemistry, demonstrating that high-fidelity quantum simulations can be achieved with few qubits and low depth.

quant-ph↗

arXiv2012

Quantum simulator of an open quantum system using superconducting qubits: exciton transport in photosynthetic complexes

Open quantum system approaches are widely used in the description of physical, chemical and biological systems. A famous example is electronic excitation transfer in the initial stage of photosynthesis, where harvested energy is transferred with remarkably high efficiency to a reaction center. This transport is affected by the motion of a structured vibrational environment, which makes simulations on a classical computer very demanding. Here we propose an analog quantum simulator of complex open system dynamics with a precisely engineered quantum environment. Our setup is based on superconducting circuits, a well established technology. As an example, we demonstrate that it is feasible to simulate exciton transport in the Fenna-Matthews-Olson photosynthetic complex. Our approach allows for a controllable single-molecule simulation and the investigation of energy transfer pathways as well as non-Markovian noise-correlation effects.

quant-ph↗

arXiv2010

Decoherence in a dynamical quantum phase transition

Motivated by the similarity between adiabatic quantum algorithms and quantum phase transitions, we study the impact of decoherence on the sweep through a second-order quantum phase transition for the prototypical example of the Ising chain in a transverse field and compare it to the adiabatic version of Grovers search algorithm, which displays a first order quantum phase transition. For site-independent and site-dependent coupling strengths as well as different operator couplings, the results show that (in contrast to first-order transitions) the impact of decoherence caused by a weak coupling to a rather general environment increases with system size (i.e., number of spins/qubits). This might limit the scalability of the corresponding adiabatic quantum algorithm.

quant-ph↗

arXiv2008

Quantum simulator for the Ising model with electrons floating on a helium film

We propose a physical setup that can be used to simulate the quantum dynamics of the Ising model with present-day technology. Our scheme consists of electrons floating on superfluid helium which interact via Coulomb forces. In the limit of low temperatures, the system will stay near the ground state where its Hamiltonian is equivalent to the Ising model and thus shows phenomena such as quantum criticality. Furthermore, the proposed design could be generalized in order to study interacting field theories (e.g., $λϕ^4$) and adiabatic quantum computers.

quant-ph↗

arXiv2007

Decoherence in the dynamical quantum phase transition of the transverse Ising chain

For the prototypical example of the Ising chain in a transverse field, we study the impact of decoherence on the sweep through a second-order quantum phase transition. Apart from the advance in the general understanding of the dynamics of quantum phase transitions, these findings are relevant for adiabatic quantum algorithms due to the similarities between them. It turns out that (in contrast to first-order transitions studied previously) the impact of decoherence caused by a weak coupling to a rather general environment increases with system size (i.e., number of spins/qubits), which might limit the scalability of the system.

quant-ph↗

arXiv2006

General error estimate for adiabatic quantum computing

Most investigations devoted to the conditions for adiabatic quantum computing are based on the first-order correction ${\bra{Ψ_{\rm ground}(t)}\dot H(t)\ket{Ψ_{\rm excited}(t)} /ΔE^2(t)\ll1}$. However, it is demonstrated that this first-order correction does not yield a good estimate for the computational error. Therefore, a more general criterion is proposed, which includes higher-order corrections as well and shows that the computational error can be made exponentially small -- which facilitates significantly shorter evolution times than the above first-order estimate in certain situations. Based on this criterion and rather general arguments and assumptions, it can be demonstrated that a run-time $T$ of order of the inverse minimum energy gap $ΔE_{\rm min}$ is sufficient and necessary, i.e., $T=\ord(ΔE_{\rm min}^{-1})$. For some examples, these analytical investigations are confirmed by numerical simulations. PACS: 03.67.Lx, 03.67.-a.

quant-ph↗