It is expected that the simulation of correlated fermions in chemistry and material science will be one of the first practical applications of quantum processors. Given the rapid evolution of quantum hardware, it is increasingly important to develop robust benchmarking techniques to gauge the capacity of quantum hardware specifically for the purpose of fermionic simulation. Here we propose using the one-dimensional Fermi-Hubbard model as an application benchmark for variational quantum simulations on near-term quantum devices. Since the one-dimensional Hubbard model is both strongly correlated and exactly solvable with the Bethe ansatz, it provides a reference ground state energy that a given device with limited coherence will be able to approximate up to a maximal size. The length of the largest chain that can be simulated provides an effective fermionic length. We use variational quantum eigensolver to approximate the ground state energy values of Fermi-Hubbard instances and show how the fermionic length benchmark can be used in practice to assess the performance of bounded-depth devices in a scalable fashion.
Despite using a novel model of computation, quantum computers break down programs into elementary gates. Among such gates, entangling gates are the most expensive. In the context of fermionic simulations, we develop a suite of compilation and optimization techniques that massively reduce the entangling-gate counts. We exploit the well-studied non-quantum optimization algorithms to achieve up to 24\% savings over the state of the art for several small-molecule simulations, with no loss of accuracy or hidden costs. Our methodologies straightforwardly generalize to wider classes of near-term simu…
Molecular simulations generally require fermionic encoding in which fermion statistics are encoded into the qubit representation of the wave function. Recent calculations suggest that fermionic encoding of the wave function can be bypassed, leading to more efficient quantum computations. Here we show that the energy can be expressed as a functional of the two-electron reduced density matrix (2-RDM) where the 2-RDM is a unique functional of the unencoded $N$-qubit-particle wave function. Contrasts are made with current hardware-efficient methods. An application to computing the ground-state ene…
Digital quantum simulation of fermionic systems is important in the context of chemistry and physics. Simulating fermionic models on general purpose quantum computers requires imposing a fermionic algebra on spins. The previously studied Jordan-Wigner and Bravyi-Kitaev transformations are two techniques for accomplishing this task. Here we re-examine an auxiliary fermion construction which maps fermionic operators to local operators on spins. The local simulation is performed by relaxing the requirement that the number of spins should match the number of fermionic modes. Instead, auxiliary mod…
We present a Superconducting Planar ARchitecture for Quantum Simulations (SPARQS) intended to implement a scalable qubit layout for quantum simulators. To this end, we describe the iFREDKIN gate as a controlled entangler for the simulation of Fermionic systems that is advantageous if it can be directly implemented. Using optimal control, we show that and how this gate can be efficiently implemented in the SPARQS circuit, making it a promising platform and control scheme for quantum simulations. Such a quantum simulator can be built with current quantum technologies to advance the design of mol…
Fermionic linear optics is a limited form of quantum computation which is known to be efficiently simulable on a classical computer. We revisit and extend this result by enlarging the set of available computational gates: in addition to unitaries and measurements, we allow dissipative evolution governed by a Markovian master equation with linear Lindblad operators. We show that this more general form of fermionic computation is also simulable efficiently by classical means. Given a system of $N$ fermionic modes, our algorithm simulates any such gate in time $O(N^3)$ while a single-mode measure…
Simulating a fermionic system on a quantum computer requires encoding the anti-commuting fermionic variables into the operators acting on the qubit Hilbert space. The most familiar of which, the Jordan-Wigner transformation, encodes fermionic operators into non-local qubit operators. As non-local operators lead to a slower quantum simulation, recent works have proposed ways of encoding fermionic systems locally. In this work, we show that locality may in fact be too strict of a condition and the size of operators can be reduced by encoding the system quasi-locally. We give examples relevant to…
Simulating fermionic lattice models with qubits requires mapping fermionic degrees of freedom to qubits. The simplest method for this task, the Jordan-Wigner transformation, yields strings of Pauli operators acting on an extensive number of qubits. This overhead can be a hindrance to implementation of qubit-based quantum simulators, especially in the analog context. Here we thus review and analyze alternative fermion-to-qubit mappings, including the two approaches by Bravyi and Kitaev and the Auxiliary Fermion transformation. The Bravyi-Kitaev transform is reformulated in terms of a classical …
Digital quantum simulations offer exciting perspectives for the study of fermionic systems such as molecules or lattice models. However, with quantum error correction still being out of reach with present-day technology, a non-vanishing error rate is inevitable. We study the influence of gate errors on simulations of the Trotterized time evolution of the quantum system with focus on the fermionic Hubbard model. Specifically, we consider the effect of stochastic over-rotations in the applied gates. Depending on the particular algorithm implemented such gate errors may lead to a time evolution t…
We report on the theoretical analysis of bosonic and fermionic non-interacting systems in a discrete two-particle quantum walk affected by different kinds of disorder. We considered up to 100-step QWs with a spatial, temporal and space-temporal disorder observing how the randomness and the wavefunction symmetry non-trivially affect the final spatial probability distribution, the transport properties and the Shannon entropy of the walkers.
We define a model of quantum computation with local fermionic modes (LFMs) -- sites which can be either empty or occupied by a fermion. With the standard correspondence between the Foch space of $m$ LFMs and the Hilbert space of $m$ qubits, simulation of one fermionic gate takes $O(m)$ qubit gates and vice versa. We show that using different encodings, the simulation cost can be reduced to $O(\log m)$ and a constant, respectively. Nearest-neighbors fermionic gates on a graph of bounded degree can be simulated at a constant cost. A universal set of fermionic gates is found. We also study comput…
The mapping of fermionic states onto qubit states, as well as the mapping of fermionic Hamiltonian into quantum gates enables us to simulate electronic systems with a quantum computer. Benefiting the understanding of many-body systems in chemistry and physics, quantum simulation is one of the great promises of the coming age of quantum computers. One challenge in realizing simulations on near-term quantum devices is the large number of qubits required by such mappings. In this work, we develop methods that allow us to trade-off qubit requirements against the complexity of the resulting quantum…
Many-body fermionic quantum calculations performed on analog quantum computers are restricted by the presence of k-local terms, which represent interactions among more than two qubits. These originate from the fermion-to-qubit mapping applied to the electronic Hamiltonians. Current solutions to this problem rely on perturbation theory in an enlarged Hilbert space. The main challenge associated with this technique is that it relies on coupling constants with very different magnitudes. This prevents its implementation in currently available architectures. In order to resolve this issue, we prese…
We propose a method for the efficient quantum simulation of fermionic systems with superconducting circuits. It consists in the suitable use of Jordan-Wigner mapping, Trotter decomposition, and multiqubit gates, be with the use of a quantum bus or direct capacitive couplings. We apply our method to the paradigmatic cases of 1D and 2D Fermi-Hubbard models, involving couplings with nearest and next-nearest neighbours. Furthermore, we propose an optimal architecture for this model and discuss the benchmarking of the simulations in realistic circuit quantum electrodynamics setups.
A fermionic operator circuit is a product of fermionic operators of usually different and partially overlapping support. Further elements of fermionic operator circuits (FOCs) are partial traces and partial projections. The presented framework allows for the introduction of fermionic versions of known qudit operator circuits (QUOC), important for the simulation of strongly correlated d-dimensional systems: The multiscale entanglement renormalization ansatz (MERA), tree tensor networks (TTN), projected entangled pair states (PEPS), or their infinite-size versions (iPEPS etc.). After the definit…
Fermion-to-qubit mappings that preserve geometric locality are especially useful for simulating lattice fermion models (e.g., the Hubbard model) on a quantum computer. They avoid the overhead associated with geometric non-local parity terms in mappings such as the Jordan-Wigner transformation and the Bravyi-Kitaev transformation. As a result, they often provide quantum circuits with lower depth and gate complexity. In such encodings, fermionic states are encoded in the common +1 eigenspace of a set of stabilizers, akin to stabilizer quantum error-correcting codes. Here, we discuss several know…
Classical simulation of free-fermionic dynamics and quantum chemistry with magic input
Korea Advanced Institute of Science and Technology（韩国科学技术院）；Center for Theoretical Physics of the Polish Academy of Sciences（波兰科学院理论物理中心）；University of Helsinki（赫尔辛基大学）；HUN-REN Wigner Research Centre for Physics（匈牙利研究与教育网络温格物理学研究中心）；Algorithmiq Ltd（Algorithmiq有限公司）
Noisy intermediate-scale quantum (NISQ) computers could solve quantum-mechanical simulation problems that are beyond the capabilities of classical computers. However, NISQ devices experience significant errors which, if not corrected, can render physical quantities measured in these simulations inaccurate or meaningless. Here we describe a method of reducing these errors which is tailored to quantum algorithms for simulating fermionic systems. The method is based on executing quantum circuits in the model of fermionic linear optics, which are known to be efficiently simulable classically, to i…
Robust exponential lower bounds for fermionic and bosonic Gaussian ranks
Yau Mathematical Sciences Center, Tsinghua University（清华大学丘成桐数学科学中心）；Qiuzhen College, Tsinghua University（清华大学求真学院）；Department of Mathematics, Tsinghua University（清华大学数学系）；Yanqi Lake Beijing Institute of Mathematical Sciences and Applications（北京雁栖湖应用数学研究院）
Scalable Simulation of Fermionic Encoding Performance on Noisy Quantum Computers
Institute for Quantum Computing, University of Waterloo（量子计算研究所，滑铁卢大学）；David R. Cheriton School of Computer Science, University of Waterloo（大卫·R·切里顿计算机科学学院，滑铁卢大学）；Perimeter Institute for Theoretical Physics（理论物理前沿研究所）；Department of Physics and Astronomy, University of Waterloo（物理与天文学系，滑铁卢大学）
Mappings between fermions and qubits are valuable constructions in physics. To date only a handful exist. In addition to revealing dualities between fermionic and spin systems, such mappings are indispensable in any quantum simulation of fermionic physics on quantum computers. The number of qubits required per fermionic mode, and the locality of mapped fermionic operators strongly impact the cost of such simulations. We present a novel fermion to qubit mapping which outperforms all previous local mappings in both the qubit to mode ratio, and the locality of mapped operators.
We analyze the efficiency of quantum simulations of fermionic and bosonic models in trapped ions. In particular, we study the optimal time of entangling gates and the required number of total elementary gates. Furthermore, we exemplify these estimations in the light of quantum simulations of quantum field theories, condensed-matter physics, and quantum chemistry. Finally, we show that trapped-ion technologies are a suitable platform for implementing quantum simulations involving interacting fermionic and bosonic modes, paving the way for overcoming classical computers in the near future.
Simulation of fermionic many-body systems on a quantum computer requires a suitable encoding of fermionic degrees of freedom into qubits. Here we revisit the Superfast Encoding introduced by Kitaev and one of the authors. This encoding maps a target fermionic Hamiltonian with two-body interactions on a graph of degree $d$ to a qubit simulator Hamiltonian composed of Pauli operators of weight $O(d)$. A system of $m$ fermi modes gets mapped to $n=O(md)$ qubits. We propose Generalized Superfast Encodings (GSE) which require the same number of qubits as the original one but have more favorable pro…
Quantum simulation using time evolution in phase estimation-based quantum algorithms can yield unbiased solutions of classically intractable models. However, long runtimes open such algorithms to decoherence. We show how measurement-based quantum simulation uses effective time evolution via measurement to allow runtime advantages over conventional circuit-based algorithms that use real-time evolution with quantum gates. We construct a hybrid algorithm to find energy eigenvalues in fermionic models using only measurements on graph states. We apply the algorithm to the Kitaev and Hubbard chains.…
We present and analyze the fermionic time evolving density matrix using orthogonal polynomials algorithm (fTEDOPA), which enables the numerically exact simulation of open quantum systems coupled to a fermionic environment. The method allows for simulating the time evolution of open quantum systems with arbitrary spectral densities at zero or finite temperatures with controllable and certified error. We demonstrate the efficacy of the method towards the simulation of quintessential fermionic open quantum systems including the resonant level model and quantum dot coupled to an impurity and towar…
Fermionic linear optics is efficiently classically simulatable. Here it is shown that the set of states achievable with fermionic linear optics and particle measurements is the closure of a low dimensional Lie group. The weakness of fermionic linear optics and measurements can therefore be explained and contrasted with the strength of bosonic linear optics with particle measurements. An analysis of fermionic linear optics is used to show that the two-qubit matchgates and the simulatable matchcircuits introduced by Valiant generate a monoid of extended fermionic linear optics operators. A usefu…
In order to realize fault-tolerant quantum computation, tight evaluation of error threshold under practical noise models is essential. While non-Clifford noise is ubiquitous in experiments, the error threshold under non-Clifford noise cannot be efficiently treated with known approaches. We construct an efficient scheme for estimating the error threshold of one-dimensional quantum repetition code under non-Clifford noise. To this end, we employ non-unitary free-fermionic formalism for efficient simulation of the one-dimensional repetition code under coherent noise. This allows us to evaluate th…
Fermionic linear optics is a model of quantum computation which is efficiently simulable on a classical probabilistic computer. We study the problem of a classical simulation of fermionic linear optics augmented with noisy auxiliary states. If the auxiliary state can be expressed as a convex combination of pure Fermionic Gaussian states, the corresponding computation scheme is classically simulable. We present an analytic characterisation of the set of convex-Gaussian states in the first non-trivial case, in which the Hilbert space of the ancilla is a four-mode Fock space. We use our result to…
We investigate the simulation of fermionic systems on a quantum computer. We show in detail how quantum computers avoid the dynamical sign problem present in classical simulations of these systems, therefore reducing a problem believed to be of exponential complexity into one of polynomial complexity. The key to our demonstration is the spin-particle connection (or generalized Jordan-Wigner transformation) that allows exact algebraic invertible mappings of operators with different statistical properties. We give an explicit implementation of a simple problem using a quantum computer based on s…
Stabilizer-based quantum simulation of fermion dynamics with local qubit encodings
IBM Quantum, IBM Research Europe - Zurich（IBM量子，IBM欧洲苏黎世研究中心）；Institute for Theoretical Physics, ETH Zürich（苏黎世联邦理工学院理论物理研究所）；Institute of Physics, École Polytechnique Fédérale de Lausanne (EPFL)（洛桑联邦理工学院物理研究所）
We use the variational quantum eigensolver (VQE) to simulate Kitaev spin models with and without integrability breaking perturbations, focusing in particular on the honeycomb and square-octagon lattices. These models are well known for being exactly solvable in a certain parameter regime via a mapping to free fermions. We use classical simulations to explore a novel variational ansatz that takes advantage of this fermionic representation and is capable of expressing the exact ground state in the solvable limit. We also demonstrate that this ansatz can be extended beyond this limit to provide e…
Present quantum computers often work with distinguishable qubits as their computational units. In order to simulate indistinguishable fermionic particles, it is first required to map the fermionic state to the state of the qubits. The Bravyi-Kitaev Superfast (BKSF) algorithm can be used to accomplish this mapping. The BKSF mapping has connections to quantum error correction and opens the door to new ways of understanding fermionic simulation in a topological context. Here, we present the first detailed exposition of BKSF algorithm for molecular simulation. We provide the BKSF transformed qubit…
Optimal and improved gate decompositions for accelerated classical simulation of near-Gaussian fermionic circuits
Phasecraft Ltd（Phasecraft有限公司）；Department of Mathematics, School of Computation, Information and Technology, Technical University of Munich（慕尼黑工业大学计算、信息与技术学院数学系）；Munich Center for Quantum Science and Technology（慕尼黑量子科学与技术中心）
An important approach to the fault-tolerant quantum computation is protecting the logical information using the quantum error correction. Usually, the logical information is in the form of logical qubits, which are encoded in physical qubits using quantum error correction codes. Compared with the qubit quantum computation, the fermionic quantum computation has advantages in quantum simulations of fermionic systems, e.g. molecules. In this paper, we show that the fermionic quantum computation can be universal and fault-tolerant if we encode logical Majorana fermions in physical Majorana fermion…
We present a guiding principle for designing fermionic Hamiltonians and quantum Monte Carlo (QMC) methods that are free from the infamous sign problem by exploiting the Lie groups and Lie algebras that appear naturally in the Monte Carlo weight of fermionic QMC simulations. Specifically, rigorous mathematical constraints on the determinants involving matrices that lie in the split orthogonal group provide a guideline for sign-free simulations of fermionic models on bipartite lattices. This guiding principle not only unifies the recent solutions of the sign problem based on the continuous-time …
We propose a computational protocol for quantum simulations of Fermionic Hamiltonians on a quantum computer, enabling calculations which were previously not feasible with conventional encoding and ansatses of variational quantum eigensolvers (VQE). We combine a qubit-efficient encoding scheme mapping Slater determinants onto qubits with a modified qubit-coupled cluster ansatz and noise-mitigation techniques. Our strategy leads to a substantial improvement in the scaling of circuit gate counts and to a decrease in the number of required variational parameters, thus increasing the resilience to …
Quantum simulations are bound to be one of the main applications of near-term quantum computers. Quantum chemistry and condensed matter physics are expected to benefit from these technological developments. Several quantum simulation methods are known to prepare a state on a quantum computer and measure the desired observables. The most resource economic procedure is the variational quantum eigensolver (VQE), which has traditionally employed unitary coupled cluster as the ansatz to approximate ground states of many-body fermionic Hamiltonians. A significant caveat of the method is that the ini…
Molecular simulations with the variational quantum eigensolver (VQE) are a promising application for emerging noisy intermediate-scale quantum computers. Constructing accurate molecular ansätze that are easy to optimize and implemented by shallow quantum circuits is crucial for the successful implementation of such simulations. Ansätze are, generally, constructed as series of fermionic-excitation evolutions. Instead, we demonstrate the usefulness of constructing ansätze with "qubit-excitation evolutions", which, contrary to fermionic excitation evolutions, obey "qubit commutation relations". W…
