arXiv subjects

Peter D. Johnson

Publications and source records attributed to Peter D. Johnson.

At least 19 recordsLinked to original sources

arXiv2025

Constant-Factor Improvements in Quantum Algorithms for Linear Differential Equations

Finding the solution to linear ordinary differential equations of the form $\partial_t u(t) = -A(t)u(t)$ has been a promising theoretical avenue for \textit{asymptotic} quantum speedups. However, despite the improvements to existing quantum differential equation solvers over the years, little is known about \textit{constant factor} costs of such quantum algorithms. This makes it challenging to assess the prospects for using these algorithms in practice. In this work, we prove constant factor bounds for a promising new quantum differential equation solver, the linear combination of Hamiltonian simulation (LCHS) algorithm. Our bounds are formulated as the number of queries to a unitary $U_A$ that block encodes the generator $A$. In doing so, we make several algorithmic improvements such as tighter truncation and discretization bounds on the LCHS kernel integral, a more efficient quantum compilation scheme for the SELECT operator in LCHS, as well as use of a constant-factor bound for oblivious amplitude amplification, which may be of general interest. To the best of our knowledge, our new formulae improve over previous state of the art by at least two orders of magnitude, where the speedup can be far greater if state preparation has a significant cost. Accordingly, for any previous resource estimates of time-independent linear differential equations for the most general case whereby the dynamics are not \textit{fast-forwardable}, these findings provide a 100-200x reduction in runtime costs. This analysis contributes towards establishing more promising applications for quantum computing.

quant-ph↗

arXiv2025

On proving the robustness of algorithms for early fault-tolerant quantum computers

The hope of the quantum computing field is that quantum architectures are able to scale up and realize fault-tolerant quantum computing. Due to engineering challenges, such ''cheap'' error correction may be decades away. In the meantime, we anticipate an era of ''costly'' error correction, or early fault-tolerant quantum computing. Costly error correction might warrant settling for error-prone quantum computations. This motivates the development of quantum algorithms which are robust to some degree of error as well as methods to analyze their performance in the presence of error. Several such algorithms have recently been developed; what is missing is a methodology to analyze their robustness. To this end, we introduce a randomized algorithm for the task of phase estimation and give an analysis of its performance under two simple noise models. In both cases the analysis leads to a noise threshold, below which arbitrarily high accuracy can be achieved by increasing the number of samples used in the algorithm. As an application of this general analysis, we compute the maximum ratio of the largest circuit depth and the dephasing scale such that performance guarantees hold. We calculate that the randomized algorithm can succeed with arbitrarily high probability as long as the required circuit depth is less than 0.916 times the dephasing scale.

quant-ph↗

arXiv2025

Efficient ground-state energy estimation and certification on early fault-tolerant quantum computers

A major thrust in quantum algorithm development over the past decade has been the search for the quantum algorithms that will deliver practical quantum advantage first. Today's quantum computers - and even early fault-tolerant quantum computers - are limited in the number of operations they can implement per circuit. We introduce quantum algorithms for ground-state energy estimation (GSEE) that accommodate this design constraint. The first algorithm estimates ground-state energies, offering a quadratic improvement on the ground state overlap parameter compared to other methods in this regime. The second algorithm certifies that the estimated ground-state energy is within a specified error tolerance of the true ground-state energy, addressing the issue of gap estimation that beleaguers several ground state preparation and energy estimation algorithms. We note, however, that the scaling of this certification technique is currently less favorable than that of the GSEE algorithm. To develop the certification algorithm, we propose a novel use of quantum computers to facilitate rejection sampling. After a classical computer generates initial samples, the quantum computer is used to accept or reject these samples, resulting in a set of accepted samples that approximate draws from a target distribution. Although we apply this technique specifically for ground-state energy certification, it may find broader applications. Our work pushes the boundaries of what operation-limited quantum computers can achieve, bringing the prospect of quantum advantage closer to realization.

quant-ph↗

arXiv2024

Quantifying fault tolerant simulation of strongly correlated systems using the Fermi-Hubbard model

Understanding the physics of strongly correlated materials is one of the grand challenge problems for physics today. A large class of scientifically interesting materials, from high-$T_c$ superconductors to spin liquids, involve medium to strong correlations, and building a holistic understanding of these materials is critical. Doing so is hindered by the competition between the kinetic energy and Coulomb repulsion, which renders both analytic and numerical methods unsatisfactory for describing interacting materials. Fault-tolerant quantum computers have been proposed as a path forward to overcome these difficulties, but this potential capability has not yet been fully assessed. Here, using the multi-orbital Fermi-Hubbard model as a representative model and a source of scalable problem specifications, we estimate the resource costs needed to use fault-tolerant quantum computers for obtaining experimentally relevant quantities such as correlation function estimation. We find that advances in quantum algorithms and hardware will be needed in order to reduce quantum resources and feasibly address utility-scale problem instances.

quant-ph↗

arXiv2024

Detailed assessment of calculating drag force with quantum computers: Explicit time-evolution precludes exponential advantage for nonlinear differential equations

This study examines the potential for fault-tolerant quantum computers to provide utility in fluid dynamics simulations, with a focus on drag force calculations for ship hull design. We assess whether quantum algorithms can surpass classical computational limits by generating detailed quantum resource estimates (QREs) in terms of logical qubits and $T$-gate counts. Our analysis is based on a quantum algorithm leveraging Carleman linearization of the lattice Boltzmann method (LBM), which has been suggested to offer exponential speedup. We develop efficient block encodings for LBM matrices and a method for amplitude-encoding drag force. We apply the method to the simple case of fluid flow past a sphere across a range of Reynolds numbers ($\mathrm{Re}$). We estimate the required (logical qubits)$\times$($T$-gates), finding them to be prohibitively large, ranging from $10^{21}$ to $10^{39}$. While classical simulations scale as $O(\mathrm{Re}^3)$, our QREs exhibit a modest polynomial scaling of $O(\mathrm{Re}^{2.68})$, indicating no exponential quantum advantage. We attribute this limitation to an intrinsic power-law relationship between spatial grid resolution and time-stepping requirements that is a fundamental characteristic of explicit methods for evolving nonlinear differential equations. Thus, quantum computers are unlikely to provide utility in applications that require time-evolving fluids and other systems of nonlinear differential equations.

quant-ph↗

arXiv2024

Feasibility of accelerating homogeneous catalyst discovery with fault-tolerant quantum computers

The industrial manufacturing of chemicals consumes a significant amount of energy and raw materials. In principle, the development of new catalysts could greatly improve the efficiency of chemical production. However, the discovery of viable catalysts can be exceedingly challenging because it is difficult to know the efficacy of a candidate without experimentally synthesizing and characterizing it. This study explores the feasibility of using fault-tolerant quantum computers to accelerate the discovery of homogeneous catalysts for nitrogen fixation, an industrially important chemical process. It introduces a set of ground-state energy estimation problems representative of calculations needed for the discovery of homogeneous catalysts and analyzes them on three dimensions: economic utility, classical hardness, and quantum resource requirements. For the highest utility problem considered, two steps of a catalytic cycle for the generation of cyanate anion from dinitrogen, the economic utility of running these computations is estimated to be $200,000, and the required runtime for double-factorized phase estimation on a fault-tolerant superconducting device is estimated under conservative assumptions to be 139,000 QPU-hours. The computational cost of an equivalent DMRG calculation is estimated to be about 400,000 CPU-hours. These results suggest that, with continued development, it will be feasible for fault-tolerant quantum computers to accelerate the discovery of homogeneous catalysts.

quant-ph↗

arXiv2024

Comparing Classical and Quantum Ground State Preparation Heuristics

One promising field of quantum computation is the simulation of quantum systems, and specifically, the task of ground state energy estimation (GSEE). Ground state preparation (GSP) is a crucial component in GSEE algorithms, and classical methods like Hartree-Fock state preparation are commonly used. However, the efficiency of such classical methods diminishes exponentially with increasing system size in certain cases. In this study, we investigated whether in those cases quantum heuristic GSP methods could improve the overlap values compared to Hartree-Fock. Moreover, we carefully studied the performance gain for GSEE algorithms by exploring the trade-off between the overlap improvement and the associated resource cost in terms of T-gates of the GSP algorithm. Our findings indicate that quantum heuristic GSP can accelerate GSEE tasks, already for computationally affordable strongly-correlated systems of intermediate size. These results suggest that quantum heuristic GSP has the potential to significantly reduce the runtime requirements of GSEE algorithms, thereby enhancing their suitability for implementation on quantum hardware.

quant-ph↗

arXiv2023

Modeling the Performance of Early Fault-Tolerant Quantum Algorithms

Progress in fault-tolerant quantum computation (FTQC) has driven the pursuit of practical applications with early fault-tolerant quantum computers (EFTQC). These devices, limited in their qubit counts and fault-tolerance capabilities, require algorithms that can accommodate some degrees of error, which are known as EFTQC algorithms. To predict the onset of early quantum advantage, a comprehensive methodology is needed to develop and analyze EFTQC algorithms, drawing insights from both the methodologies of noisy intermediate-scale quantum (NISQ) and traditional FTQC. To address this need, we propose such a methodology for modeling algorithm performance on EFTQC devices under varying degrees of error. As a case study, we apply our methodology to analyze the performance of Randomized Fourier Estimation (RFE), an EFTQC algorithm for phase estimation. We investigate the runtime performance and the fault-tolerant overhead of RFE in comparison to the traditional quantum phase estimation algorithm. Our analysis reveals that RFE achieves significant savings in physical qubit counts while having a much higher runtime upper bound. We anticipate even greater physical qubit savings when considering more realistic assumptions about the performance of EFTQC devices. By providing insights into the performance trade-offs and resource requirements of EFTQC algorithms, our work contributes to the development of practical and efficient quantum computing solutions on the path to quantum advantage.

quant-ph↗

arXiv2023

Early Fault-Tolerant Quantum Computing

Over the past decade, research in quantum computing has tended to fall into one of two camps: near-term intermediate scale quantum (NISQ) and fault-tolerant quantum computing (FTQC). Yet, a growing body of work has been investigating how to use quantum computers in transition between these two eras. This envisions operating with tens of thousands to millions of physical qubits, able to support fault-tolerant protocols, though operating close to the fault-tolerant threshold. Two challenges emerge from this picture: how to model the performance of devices that are continually improving and how to design algorithms to make the most use of these devices? In this work we develop a model for the performance of early fault-tolerant quantum computing (EFTQC) architectures and use this model to elucidate the regimes in which algorithms suited to such architectures are advantageous. As a concrete example, we show that, for the canonical task of phase estimation, in a regime of moderate scalability and using just over one million physical qubits, the ``reach'' of the quantum computer can be extended (compared to the standard approach) from 90-qubit instances to over 130-qubit instances using a simple early fault-tolerant quantum algorithm, which reduces the number of operations per circuit by a factor of 100 and increases the number of circuit repetitions by a factor of 10,000. This clarifies the role that such algorithms might play in the era of limited-scalability quantum computing.

quant-ph↗

arXiv2023

Discovery of Orbital Ordering in Bi2Sr2CaCu2O8+x

The primordial ingredient of cuprate superconductivity is the CuO2 unit cell. Here, theoretical attention usually concentrates on the intra-atom Coulombic interactions dominating the 3d^9 and 3d^10 configurations of each copper ion. However, if Coulombic interactions also occur between electrons of the 2p^6 orbitals of each planar oxygen atom, spontaneous orbital ordering may split their energy levels. This long predicted intra-unit cell symmetry breaking should then generate an orbital ordered phase, for which the charge-transfer energy E separating the 2p^6 and 3d^10orbitals is distinct for the two oxygen atoms. Here we introduce sublattice resolved E(r) imaging techniques to CuO2 studies and discover intra-unit-cell rotational symmetry breaking of E(r), with energy-level splitting between the two oxygen atoms on the 50 meV scale. Spatially, this state is arranged in disordered Ising domains of orthogonally oriented orbital order that appear bounded by dopant ions, and within whose domain walls low energy electronic quadrupolar two-level systems occur. Overall, these data reveal a Q=0 orbitally ordered state that splits the energy levels of the oxygen orbitals by ~50 meV, in underdoped CuO2.

cond-mat.supr-con↗

arXiv2023

Quantum algorithm for ground state energy estimation using circuit depth with exponentially improved dependence on precision

A milestone in the field of quantum computing will be solving problems in quantum chemistry and materials faster than state-of-the-art classical methods. The current understanding is that achieving quantum advantage in this area will require some degree of fault tolerance. While hardware is improving towards this milestone, optimizing quantum algorithms also brings it closer to the present. Existing methods for ground state energy estimation are costly in that they require a number of gates per circuit that grows exponentially with the desired number of bits in precision. We reduce this cost exponentially, by developing a ground state energy estimation algorithm for which this cost grows linearly in the number of bits of precision. Relative to recent resource estimates of ground state energy estimation for the industrially-relevant molecules of ethylene-carbonate and PF$_6^-$, the estimated gate count and circuit depth is reduced by a factor of 43 and 78, respectively. Furthermore, the algorithm can use additional circuit depth to reduce the total runtime. These features make our algorithm a promising candidate for realizing quantum advantage in the era of early fault-tolerant quantum computing.

quant-ph↗

arXiv2023

Low-depth Gaussian State Energy Estimation

Recent progress in quantum computing is paving the way for the realization of early fault-tolerant quantum computers. To maximize the utility of these devices, it is important to develop quantum algorithms that match their capabilities and limitations. Motivated by this, recent work has developed low-depth quantum algorithms for ground state energy estimation (GSEE), an important subroutine in quantum chemistry and materials. We detail a new GSEE algorithm which, like recent work, uses a number of operations scaling as $O(1/Δ)$ as opposed to the typical $O(1/ε)$, at the cost of an increase in the number of circuit repetitions from $O(1)$ to $O(1/ε^2)$. The relevant features of this algorithm come about from using a Gaussian window, which exponentially reduces contamination from excited states over the simplest GSEE algorithm based on the Quantum Fourier Transform (QFT). We adapt this algorithm to interpolate between the low-depth and full-depth regime by replacing $Δ$ with anything between $Δ$ and $ε$. At the cost of increasing the number of ancilla qubits from $1$ to $O(\logΔ)$, our method reduces the upper bound on the number of circuit repetitions by a factor of four compared to previous methods.

quant-ph↗

arXiv2023

Near-term quantum algorithm for computing molecular and materials properties based on recursive variational series methods

Determining the properties of molecules and materials is one of the premier applications of quantum computing. A major question in the field is: how might we use imperfect near-term quantum computers to solve problems of practical value? We propose a quantum algorithm to estimate the properties of molecules using near-term quantum devices. The method is a recursive variational series estimation method, where we expand an operator of interest in terms of Chebyshev polynomials and evaluate each term in the expansion using a variational quantum algorithm. We test our method by computing the one-particle Green's function in the energy domain and the autocorrelation function in the time domain.

quant-ph↗

arXiv2023

Revealing the Origin of Time-reversal Symmetry Breaking in Fe-chalcogenide Superconductor FeTe1-xSex

Recently evidence has emerged in the topological superconductor Fe-chalcogenide FeTe1-xSex for time-reversal symmetry breaking (TRSB), the nature of which has strong implications on the Majorana zero modes (MZM) discovered in this system. It remains unclear however whether the TRSB resides in the topological surface state (TSS) or in the bulk, and whether it is due to an unconventional TRSB superconducting order parameter or an intertwined order. Here by performing in superconducting FeTe1-xSex crystals both surface-magneto-optic-Kerr effect (SMOKE) measurements using a Sagnac interferometer and bulk magnetic susceptibility measurements, we pinpoint the TRSB to the TSS, where we also detect a Dirac gap. Further, we observe surface TRSB in non-superconducting FeTe1-xSex of nominally identical composition, indicating that TRSB arises from an intertwined surface ferromagnetic (FM) order. The observed surface FM bears striking similarities to the two-dimensional (2D) FM found in 2D van der Waals crystals, and is highly sensitive to the exact chemical composition, thereby providing a means for optimizing the conditions for Majorana particles that are useful for robust quantum computing.

cond-mat.str-el↗

arXiv2022

When to Reject a Ground State Preparation Algorithm

In recent years substantial research effort has been devoted to quantum algorithms for ground state energy estimation (GSEE) in chemistry and materials. Given the many heuristic and non-heuristic methods being developed, it is challenging to assess what combination of these will ultimately be used in practice. One important metric for assessing utility is runtime. For most GSEE algorithms, the runtime depends on the ground state preparation (GSP) method. Towards assessing the utility of various combinations of GSEE and GSP methods, we asked under which conditions a GSP method should be accepted over a reference method, such as the Hartree-Fock state. We introduce a criteria for accepting or rejecting a GSP method for the purposes of GSEE. We consider different GSP methods ranging from heuristics to algorithms with provable performance guarantees and perform numerical simulations to benchmark their performance on different chemical systems, starting from small molecules like the hydrogen atom to larger systems like the jellium. In the future this approach may be used to abandon certain VQE ansatzes and other heursitics. Yet so far our findings do not provide evidence against the use of VQE and more expensive heuristic methods, like the low-depth booster. This work sets a foundation from which to further explore the requirements to achieve quantum advantage in quantum chemistry.

quant-ph↗

arXiv2022

State Preparation Boosters for Early Fault-Tolerant Quantum Computation

Quantum computing is believed to be particularly useful for the simulation of chemistry and materials, among the various applications. In recent years, there have been significant advancements in the development of near-term quantum algorithms for quantum simulation, including VQE and many of its variants. However, for such algorithms to be useful, they need to overcome several critical barriers including the inability to prepare high-quality approximations of the ground state. Current challenges to state preparation, including barren plateaus and the high-dimensionality of the optimization landscape, make state preparation through ansatz optimization unreliable. In this work, we introduce the method of ground state boosting, which uses a limited-depth quantum circuit to reliably increase the overlap with the ground state. This circuit, which we call a booster, can be used to augment an ansatz from VQE or be used as a stand-alone state preparation method. The booster converts circuit depth into ground state overlap in a controllable manner. We numerically demonstrate the capabilities of boosters by simulating the performance of a particular type of booster, namely the Gaussian booster, for preparing the ground state of $N_2$ molecular system. Beyond ground state preparation as a direct objective, many quantum algorithms, such as quantum phase estimation, rely on high-quality state preparation as a subroutine. Therefore, we foresee ground state boosting and similar methods as becoming essential algorithmic components as the field transitions into using early fault-tolerant quantum computers.

quant-ph↗

arXiv2022

Ultrafast Melting of Superconductivity in an Iron-Based Superconductor

Intense debate has recently arisen regarding the photoinduced changes to the iron-chalcogenide superconductors, including the enhancement of superconductivity and a metastable state. Here, by employing high energy resolution, we directly observe the melting of superconductivity on ultrafast timescales. We demonstrate a distinctly nonequilibrium response on short timescales, where the gap fills in prior to the destruction of the superconducting peak, followed by a metastable response. We propose that the former is due to pair phase decoherence and speculate that the latter is due to the increase in double stripe correlations that are known to compete with superconductivity. Our results add to exciting new developments on the iron-based superconductors, indicating that the photoinduced metastable state possibly competes with superconductivity.

cond-mat.supr-con↗

arXiv2022

On the Role of Defects in the Electronic Structure of MnBi$_{2-x}$Sb$_x$Te$_4$

Elemental substitution is a proven method of Fermi level tuning in topological insulators, which is needed for device applications. Through static and time resolved photoemission, we show that in MnBi$_2$Te$_4$, elemental substitution of Bi with Sb indeed tunes the Fermi level towards the bulk band gap, making the material charge neutral at 35\% Sb concentration. For the first time, we are able to directly probe the excited state band structure at this doping level, and their dynamics, which show that the decay channels at the Fermi level are severely restricted. However, elemental substitution widens the surface state gap, which we attribute to the increase in antisite defects resulting from Sb substitution. This hypothesis is supported by DFT calculations that include defects, which show a sensitivity of the topological surface state to their inclusion. Our results emphasize the need for defect control if MnBi$_{2-x}$Sb$_x$Te$_4$ is to be used for device applications.

cond-mat.mtrl-sci↗