Related papers: Leveraging commuting groups for an efficient varia…
In fault-tolerant quantum computing, the cost of calculating Hamiltonian eigenvalues using the quantum phase estimation algorithm is proportional to the constant scaling the Hamiltonian matrix block-encoded in a unitary circuit. We present…
Relativistic spin effects drive subtle molecular phenomena ranging from intersystem crossing in photodynamic therapy to spin-mediated catalysis and high-resolution spectroscopy. These effects are described by the Pauli-Breit Hamiltonian,…
The power method (or iteration) is a well-known classical technique that can be used to find the dominant eigenpair of a matrix. Here, we present a variational quantum circuit method for the power iteration, which can be used to find the…
Variational quantum algorithms are promising applications of noisy intermediate-scale quantum (NISQ) computers. These algorithms consist of a number of separate prepare-and-measure experiments that estimate terms in a Hamiltonian. The…
Group twirling is crucial in quantum information processing, particularly in randomized benchmarking and random compiling. While protocols based on Pauli twirling have been effectively crafted to transform arbitrary noise channels into…
The Hamiltonian operator plays a central role in quantum theory being a generator of unitary quantum dynamics. Its expectation value describes the energy of a quantum system. Typically being a non-unitary operator, the action of the…
We demonstrate the use of the Variational Quantum Eigensolver (VQE) to simulate solid state crystalline materials. We adapt the Unitary Coupled Cluster ansatz to periodic boundary conditions in real space and momentum space representations…
In this paper we discuss the utilization of Variational Quantum Solver (VQE) and recently introduced Generalized Unitary Coupled Cluster (GUCC) formalism for the diagonalization of downfolded/effective Hamiltonians in active spaces. In…
We present a quantum algorithm for simulating rovibrational Hamiltonians on fault-tolerant quantum computers. The method integrates exact curvilinear kinetic energy operators and general-form potential energy surfaces expressed in a hybrid…
Shallow, CNOT-efficient quantum circuits are crucial for performing accurate computational chemistry simulations on current noisy quantum hardware. Here, we explore the usefulness of non-iterative energy corrections, based on the method of…
Quantum circuits consisting of Clifford and matchgates are two classes of circuits that are known to be efficiently simulatable on a classical computer. We introduce a unified framework that shows in a transparent way the special structure…
Downfolding coupled cluster (CC) techniques have recently been introduced into quantum chemistry as a tool for the dimensionality reduction of the many-body quantum problem. As opposed to earlier formulations in physics and chemistry based…
Diagonalizing a Hamiltonian, which is essential for simulating its long-time dynamics, is a key primitive in quantum computing and has been proven to yield a quantum advantage for several specific families of Hamiltonians. Yet, despite its…
The preparation of quantum states using short quantum circuits is one of the most promising near-term applications of small quantum computers, especially if the circuit is short enough and the fidelity of gates high enough that it can be…
We describe an algorithm that computes the ground state energy and correlation functions for 2-local Hamiltonians in which interactions between qubits are weak compared to single-qubit terms. The running time of the algorithm is polynomial…
Simulating dynamics of physical systems is a key application of quantum computing, with potential impact in fields such as condensed matter physics and quantum chemistry. However, current quantum algorithms for Hamiltonian simulation yield…
We present the Quantum Paldus Transform: an efficient quantum algorithm for block-diagonalising fermionic, spin-free Hamiltonians in the second quantisation. Our algorithm implements an isometry between the occupation number basis of a…
We present an efficient method for construction of a fully anti-commutative set of Pauli generators (elements of the Pauli group) from a commutative set of operators that are composed exclusively from Pauli $\hat x_i$ operators (purely X…
We investigate the generation of quantum states and unitary operations that are ``random'' in certain respects. We show how to use such states to estimate the average fidelity, an important measure in the study of implementations of quantum…
The Pauli strings appearing in the decomposition of an operator can be can be grouped into commuting families, reducing the number of quantum circuits needed to measure the expectation value of the operator. We detail an algorithm to…