arXiv subjects

Simon Benjamin

Publications and source records attributed to Simon Benjamin.

At least 19 recordsLinked to original sources

arXiv2026

Nanostructure modelling with early fault tolerant quantum computers

Semiconductor nanostructures are central to many developing technologies. Notably, double quantum dots are especially important for semiconductor spin-qubit architectures, quantum sensing applications, and quantum-dot solar cells. Accurate modelling is highly desirable but conventional methods can struggle when dynamics involve more than two interacting electrons. In this work, we present a quantum simulation framework capable of addressing multi-electron double quantum dots. We adopt an efficiently scaling 1$^\text{st}$ quantised representation of the system and develop algorithms based on both Trotterisation and Qubitisation. Incorporating insights from classical simulations enables us to produce resource estimates that are more realistic than those obtained from theoretical error bounds. Using a standard surface code model with physical noise at $10^{-3}$, our results indicate that the ground-state energy of four electrons in a double quantum dot can be estimated in approximately 22 hours using 226k physical qubits, or an eight-electron system in 3.3 days with 314k qubits (with runtimes falling dramatically when more qubits are available). We anticipate that incorporating recent advances in surface code architectures may reduce these costs significantly further. Our results suggest that early fault-tolerant quantum computers may become valuable tools for designing mature-era quantum technologies.

quant-ph↗

arXiv2026

Erasure conversion for singlet-triplet spin qubits enables high-performance shuttling-based quantum error correction

Fast and high fidelity shuttling of spin qubits has been demonstrated in semiconductor quantum dot devices. Several architectures based on shuttling have been proposed; it has been suggested that singlet-triplet (dual-spin) qubits could be optimal for the highest shuttling fidelities. Here we present a fault-tolerant framework for quantum error correction based on such dual-spin qubits, establishing them as a natural realisation of erasure qubits within semiconductor architectures. We introduce a hardware-efficient leakage-detection protocol that automatically projects leaked qubits back onto the computational subspace, without the need for measurement feedback or increased classical control overheads. When combined with the XZZX surface code and leakage-aware decoding, we demonstrate a twofold increase in the error correction threshold and achieve orders-of-magnitude reductions in logical error rates. This establishes the singlet-triplet encoding as a practical route toward high-fidelity shuttling and erasure-based, fault-tolerant quantum computation in semiconductor devices.

quant-ph↗

arXiv2025

Snakes on a Plane: mobile, low dimensional logical qubits on a 2D surface

Recent demonstrations indicate that silicon-spin QPUs will be able to shuttle physical qubits rapidly and with high fidelity - a desirable feature for maximising logical connectivity, supporting new codes, and routing around damage. However it may seem that shuttling at the logical level is unwise: static defects in the device may 'scratch' a logical qubit as it passes, causing correlated errors to which the code is highly vulnerable. Here we explore an architecture where logical qubits are 1D strings ('snakes') which can be moved freely over a planar latticework. Possible scratch events are inferred via monitor qubits and the complimentary gap; if deemed a risk, remarkably the shuttle process can be undone in a way that negates any corruption. Interaction between logical snakes is facilitated by a semi-transversal method. We obtain encouraging estimates for the tolerable levels of shuttling-related imperfections.

quant-ph↗

arXiv2023

HamLib: A library of Hamiltonians for benchmarking quantum algorithms and hardware

In order to characterize and benchmark computational hardware, software, and algorithms, it is essential to have many problem instances on-hand. This is no less true for quantum computation, where a large collection of real-world problem instances would allow for benchmarking studies that in turn help to improve both algorithms and hardware designs. To this end, here we present a large dataset of qubit-based quantum Hamiltonians. The dataset, called HamLib (for Hamiltonian Library), is freely available online and contains problem sizes ranging from 2 to 1000 qubits. HamLib includes problem instances of the Heisenberg model, Fermi-Hubbard model, Bose-Hubbard model, molecular electronic structure, molecular vibrational structure, MaxCut, Max-$k$-SAT, Max-$k$-Cut, QMaxCut, and the traveling salesperson problem. The goals of this effort are (a) to save researchers time by eliminating the need to prepare problem instances and map them to qubit representations, (b) to allow for more thorough tests of new algorithms and hardware, and (c) to allow for reproducibility and standardization across research studies.

quant-ph↗

arXiv2023

Probabilistic Interpolation of Quantum Rotation Angles

Quantum computing requires a universal set of gate operations; regarding gates as rotations, any rotation angle must be possible. However a real device may only be capable of $B$ bits of resolution, i.e. it might support only $2^B$ possible variants of a given physical gate. Naive discretization of an algorithm's gates to the nearest available options causes coherent errors, while decomposing an impermissible gate into several allowed operations increases circuit depth. Conversely, demanding higher $B$ can greatly complexify hardware. Here we explore an alternative: Probabilistic Angle Interpolation (PAI). This effectively implements any desired, continuously parametrised rotation by randomly choosing one of three discretised gate settings and postprocessing individual circuit outputs. The approach is particularly relevant for near-term applications where one would in any case average over many runs of circuit executions to estimate expected values. While PAI increases that sampling cost, we prove that a) the approach is optimal in the sense that PAI achieves the least possible overhead and c) the overhead is remarkably modest even with thousands of parametrised gates and only $7$ bits of resolution available. This is a profound relaxation of engineering requirements for first generation quantum computers where even $5-6$ bits of resolution may suffice and, as we demonstrate, the approach is many orders of magnitude more efficient than prior techniques. Moreover we conclude that, even for more mature late-NISQ hardware, no more than $9$ bits will be necessary.

quant-ph↗

arXiv2023

A Herculean task: Classical simulation of quantum computers

In the effort to develop useful quantum computers simulating quantum machines with conventional computing resources is a key capability. Such simulations will always face limits preventing the emulation of quantum computers of substantial scale but by pushing the envelope as far as possible through optimal choices of algorithms and hardware the value of the simulator tool is maximized. This work reviews the state-of-the-art numerical simulation methods i.e. the classical algorithms that emulate quantum computer evolution under specific operations. We focus on the mainstream state-vector and tensor-network paradigms while briefly mentioning alternative methods. Moreover we review the diverse applications of simulation across different facets of quantum computer development such as understanding the fundamental difference between quantum and classical computations exploring algorithm design spaces for quantum advantage predicting quantum processor performance at the design stage and characterizing fabricated devices efficiently for fast iterations. This review complements recent surveys on today's tools and implementations here we seek to acquaint the reader with an essential understanding of the theoretical basis of classical simulations detailed discussions on the advantages and limitations of different methods and the demands and challenges arising from practical use cases.

quant-ph↗

arXiv2022

Adaptive surface code for quantum error correction in the presence of temporary or permanent defects

Whether it is at the fabrication stage or during the course of the quantum computation, e.g. because of high-energy events like cosmic rays, the qubits constituting an error correcting code may be rendered inoperable. Such defects may correspond to individual qubits or to clusters and could potentially disrupt the code sufficiently to generate logical errors. In this paper, we explore a novel adaptive approach for surface code quantum error correction on a defective lattice. We show that combining an appropriate defect detection algorithm and a quarantine of the identified zone allows one to preserve the advantage of quantum error correction at finite code sizes, at the cost of a qubit overhead that scales with the size of the defect. Our numerics indicate that the code's threshold need not be significantly affected; for example, for a certain scenario where small defects repeatedly arise in each logical qubit, the noise threshold is $2.7\%$ (versus the defect-free case of $2.9\%$). These results pave the way to the experimental implementation of large-scale quantum computers where defects will be inevitable.

quant-ph↗

arXiv2022

Looped Pipelines Enabling Effective 3D Qubit Lattices in a Strictly 2D Device

Many quantum computing platforms are based on a two-dimensional physical layout. Here we explore a concept called looped pipelines which permits one to obtain many of the advantages of a 3D lattice while operating a strictly 2D device. The concept leverages qubit shuttling, a well-established feature in platforms like semiconductor spin qubits and trapped-ion qubits. The looped pipeline architecture has similar hardware requirements to other shuttling approaches, but can process a stack of qubit arrays instead of just one. Even a stack of limited height is enabling for diverse schemes ranging from NISQ-era error mitigation through to fault-tolerant codes. For the former, protocols involving multiple states can be implemented with a space-time resource cost comparable to preparing one noisy copy. For the latter, one can realise a far broader variety of code structures; as an example we consider layered 2D codes within which transversal CNOTs are available. Under reasonable assumptions this approach can reduce the space-time cost of magic state distillation by two orders of magnitude. Numerical modelling using experimentally-motivated noise models verifies that the architecture provides this benefit without significant reduction to the code's threshold.

quant-ph↗

arXiv2018

Variational quantum simulation of general processes

Variational quantum algorithms have been proposed to solve static and dynamic problems of closed many-body quantum systems. Here we investigate variational quantum simulation of three general types of tasks---generalised time evolution with a non-Hermitian Hamiltonian, linear algebra problems, and open quantum system dynamics. The algorithm for generalised time evolution provides a unified framework for variational quantum simulation. In particular, we show its application in solving linear systems of equations and matrix-vector multiplications by converting these algebraic problems into generalised time evolution. Meanwhile, assuming a tensor product structure of the matrices, we also propose another variational approach for these two tasks by combining variational real and imaginary time evolution. Finally, we introduce variational quantum simulation for open system dynamics. We variationally implement the stochastic Schr\"odinger equation, which consists of dissipative evolution and stochastic jump processes. We numerically test the algorithm with a six-qubit 2D transverse field Ising model under dissipation.

quant-ph↗

arXiv2018

Theory of variational quantum simulation

The variational method is a versatile tool for classical simulation of a variety of quantum systems. Great efforts have recently been devoted to its extension to quantum computing for efficiently solving static many-body problems and simulating real and imaginary time dynamics. In this work, we first review the conventional variational principles, including the Rayleigh-Ritz method for solving static problems, and the Dirac and Frenkel variational principle, the McLachlan's variational principle, and the time-dependent variational principle, for simulating real time dynamics. We focus on the simulation of dynamics and discuss the connections of the three variational principles. Previous works mainly focus on the unitary evolution of pure states. In this work, we introduce variational quantum simulation of mixed states under general stochastic evolution. We show how the results can be reduced to the pure state case with a correction term that takes accounts of global phase alignment. For variational simulation of imaginary time evolution, we also extend it to the mixed state scenario and discuss variational Gibbs state preparation. We further elaborate on the design of ansatz that is compatible with post-selection measurement and the implementation of the generalised variational algorithms with quantum circuits. Our work completes the theory of variational quantum simulation of general real and imaginary time evolution and it is applicable to near-term quantum hardware.

quant-ph↗

arXiv2018

Digital quantum simulation of molecular vibrations

Molecular vibrations underpin important phenomena such as spectral properties, energy transfer, and molecular bonding. However, obtaining a detailed understanding of the vibrational structure of even small molecules is computationally expensive. While several algorithms exist for efficiently solving the electronic structure problem on a quantum computer, there has been comparatively little attention devoted to solving the vibrational structure problem with quantum hardware. In this work, we discuss the use of quantum algorithms for investigating both the static and dynamic vibrational properties of molecules. We introduce a physically motivated unitary vibrational coupled cluster ansatz, which also makes our method accessible to noisy, near-term quantum hardware. We numerically test our proposals for the water and sulfur dioxide molecules.

quant-ph↗

arXiv2018

Quantum computational chemistry

One of the most promising suggested applications of quantum computing is solving classically intractable chemistry problems. This may help to answer unresolved questions about phenomena like: high temperature superconductivity, solid-state physics, transition metal catalysis, or certain biochemical reactions. In turn, this increased understanding may help us to refine, and perhaps even one day design, new compounds of scientific and industrial importance. However, building a sufficiently large quantum computer will be a difficult scientific challenge. As a result, developments that enable these problems to be tackled with fewer quantum resources should be considered very important. Driven by this potential utility, quantum computational chemistry is rapidly emerging as an interdisciplinary field requiring knowledge of both quantum computing and computational chemistry. This review provides a comprehensive introduction to both computational chemistry and quantum computing, bridging the current knowledge gap. We review the major developments in this area, with a particular focus on near-term quantum computation. Illustrations of key methods are provided, explicitly demonstrating how to map chemical problems onto a quantum computer, and solve them. We conclude with an outlook for this nascent field.

quant-ph↗

arXiv2018

Mitigating algorithmic errors in Hamiltonian simulation

Quantum computers can efficiently simulate many-body systems. As a widely used Hamiltonian simulation tool, the Trotter-Suzuki scheme splits the evolution into the number of Trotter steps $N$ and approximates the evolution of each step by a product of exponentials of each individual term of the total Hamiltonian. The algorithmic error due to the approximation can be reduced by increasing $N$, which however requires a longer circuit and hence inevitably introduces more physical errors. In this work, we first study such a trade-off and numerically find the optimal number of Trotter steps $N_{\textrm{opt}}$ given a physical error model in a near-term quantum hardware. Practically, physical errors can be suppressed using recently proposed error mitigation methods. We then extend physical error mitigation methods to suppress the algorithmic error in Hamiltonian simulation. By exploiting the simulation results with different numbers of Trotter steps $N\le N_{\textrm{opt}}$, we can infer the exact simulation result within a higher accuracy and hence mitigate algorithmic errors. We numerically test our scheme with a five qubit system and show significant improvements in the simulation accuracy by applying both physical and algorithmic error mitigations.

quant-ph↗

arXiv2018

Constructing Smaller Pauli Twirling Sets for Arbitrary Error Channels

Twirling is a technique widely used for converting arbitrary noise channels into Pauli channels in error threshold estimations of quantum error correction codes. It is vitally useful both in real experiments and in classical quantum simulations. Minimising the size of the twirling gate set increases the efficiency of simulations and in experiments it might reduce both the number of runs required and the circuit depth (and hence the error burden). Conventional twirling uses the full set of Pauli gates as the set of twirling gates. This article provides a theoretical background for Pauli twirling and a way to construct a twirling gate set with a number of members comparable to the size of the Pauli basis of the given error channel, which is usually much smaller than the full set of Pauli gates. We also show that twirling is equivalent to stabiliser measurements with discarded measurement results, which enables us to further reduce the size of the twirling gate set.

quant-ph↗

arXiv2018

Error-mitigated digital quantum simulation

Variational algorithms may enable classically intractable simulations on near-future quantum computers. However, their potential is limited by hardware errors. It is therefore crucial to develop efficient ways to mitigate these errors. Here, we propose a stabiliser-like method which enables the detection of up to 60 - 80 % of depolarising errors. Our method is suitable for near-term quantum hardware. Simulations show that our method can significantly benefit calculations subject to both stochastic and correlated noise, especially when combined with existing error mitigation techniques.

quant-ph↗

arXiv2018

Variational quantum algorithms for discovering Hamiltonian spectra

Calculating the energy spectrum of a quantum system is an important task, for example to analyse reaction rates in drug discovery and catalysis. There has been significant progress in developing algorithms to calculate the ground state energy of molecules on near-term quantum computers. However, calculating excited state energies has attracted comparatively less attention, and it is currently unclear what the optimal method is. We introduce a low depth, variational quantum algorithm to sequentially calculate the excited states of general Hamiltonians. Incorporating a recently proposed technique, we employ the low depth swap test to energetically penalise the ground state, and transform excited states into ground states of modified Hamiltonians. We use variational imaginary time evolution as a subroutine, which deterministically propagates towards the target eigenstate. We discuss how symmetry measurements can mitigate errors in the swap test step. We numerically test our algorithm on Hamiltonians which encode 3SAT optimisation problems of up to 18 qubits, and the electronic structure of the Lithium Hydride molecule. As our algorithm uses only low depth circuits and variational algorithms, it is suitable for use on near-term quantum hardware.

quant-ph↗

arXiv2018

Variational ansatz-based quantum simulation of imaginary time evolution

Imaginary time evolution is a powerful tool for studying quantum systems. While it is possible to simulate with a classical computer, the time and memory requirements generally scale exponentially with the system size. Conversely, quantum computers can efficiently simulate quantum systems, but not non-unitary imaginary time evolution. We propose a variational algorithm for simulating imaginary time evolution on a hybrid quantum computer. We use this algorithm to find the ground-state energy of many-particle systems; specifically molecular hydrogen and lithium hydride, finding the ground state with high probability. Our method can also be applied to general optimisation problems and quantum machine learning. As our algorithm is hybrid, suitable for error mitigation and can exploit shallow quantum circuits, it can be implemented with current quantum computers.

quant-ph↗

arXiv2018

QuEST and High Performance Simulation of Quantum Computers

We introduce QuEST, the Quantum Exact Simulation Toolkit, and compare it to ProjectQ, qHipster and a recent distributed implementation of Quantum++. QuEST is the first open source, OpenMP and MPI hybridised, GPU accelerated simulator of universal quantum circuits. Embodied as a C library, it is designed so that a user's code can be deployed seamlessly to any platform from a laptop to a supercomputer. QuEST is capable of simulating generic quantum circuits of general single-qubit gates and multi-qubit controlled gates, on pure and mixed states, represented as state-vectors and density matrices, and under the presence of decoherence. Using the ARCUS Phase-B and ARCHER supercomputers, we benchmark QuEST's simulation of random circuits of up to 38 qubits, distributed over up to 2048 compute nodes, each with up to 24 cores. We directly compare QuEST's performance to ProjectQ's on single machines, and discuss the differences in distribution strategies of QuEST, qHipster and Quantum++. QuEST shows excellent scaling, both strong and weak, on multicore and distributed architectures.

quant-ph↗