Abstract: Methods, systems and apparatus for performing indexed operations using a unary iteration quantum circuit. In one aspect, a method includes encoding an index value in an index register comprising index qubits; encoding the index value in a control register comprising multiple control qubits; and repeatedly computing and uncomputing the control qubits to perform, conditioned on the state of the control qubits, the operation on one or more target qubits corresponding to the index value, wherein during the encoding, computing and uncomputing: the multiple control qubits are made available in sequence, and the multiple control qubits correspond to a one-hot encoding of the encoded index value.

Abstract: Methods, systems and apparatus for simulating a physical system described by an electronic structure Hamiltonian expressed in an orthonormal basis. In one aspect, a method includes decomposing the electronic structure Hamiltonian into a sum of sub-Hamiltonians, wherein each sub-Hamiltonian in the sum of sub-Hamiltonians is expressed in one of multiple bases; simulating evolution of the physical system using the decomposed electronic structure Hamiltonian; and using the simulated evolution of the physical system using the decomposed electronic structure Hamiltonian to determine properties of the physical system.

Abstract: Methods, systems and apparatus for measuring the energy of a quantum chemical system. In one aspect, a method includes obtaining a Hamiltonian describing the chemical system, where the Hamiltonian is expressed in an orthonormal basis; decomposing the Hamiltonian into a sum of terms where each term comprises a respective operator that effects a respective single particle basis rotation, and one or more particle density operators; repeatedly, for each group comprising terms with a same operator that effects a respective single particle basis rotation, measuring expectation values of the terms included in the group, comprising: performing the respective single particle basis rotation on a qubit system encoding a state of the chemical system; and measuring Jordan-Wigner transformations of the one or more particle density operators in the group to obtain a respective measurement result for the group; and determining the energy of the chemical system using the obtained measurement results.

Abstract: Methods and apparatus for estimating the fidelity of quantum hardware. In one aspect, a method includes accessing a set of quantum gates; sampling a subset of quantum gates from the set of quantum gates, wherein the subset of quantum gates defines a quantum circuit; applying the quantum circuit to a quantum system and performing measurements on the quantum system to determine output information of the quantum system; calculating output information of the quantum system based on application of the quantum circuit to the quantum system; and estimating a fidelity of the quantum circuit based on the determined output information and the calculated output information of the quantum system.

Abstract: Methods, systems, and apparatus for quantum simulation of a quantum system. In one aspect, a method includes, for an observable generated from a set of observables, wherein a commutator of each observable in the set of observables with the first Hamiltonian is equal to a combination of observables in the set of observables: encoding, by a quantum computer, a vector of coefficients of a time-dependent representation of the observable in a quantum state of a register of qubits; simulating, by the quantum computer, time evolution of the quantum state under a second Hamiltonian to obtain an evolved quantum state, wherein the second Hamiltonian comprises a matrix of complex weights in the linear combination of observables; measuring, by the quantum computer, the evolved quantum state; and post-processing, by a classical processor, obtained measurement results to obtain an expectation value of the observable.

Abstract: Methods, systems and apparatus for estimating an expectation value of a quantum mechanical observable. In one aspect, a method includes identifying a first operator associated with the observable, wherein the first operator comprises a linear combination of terms. One or more constraints on expectation values of one or more of the terms in the linear combination are determined. A second operator is defined, wherein the second operator comprises a combination of the first operator and one or more of the determined constraints. The expectation value of the quantum mechanical observable is estimated using the second operator.

Abstract: Methods, systems and apparatus for performing indexed operations using a unary iteration quantum circuit. In one aspect, a method includes encoding an index value in an index register comprising index qubits; encoding the index value in a control register comprising multiple control qubits; and repeatedly computing and uncomputing the control qubits to perform, conditioned on the state of the control qubits, the operation on one or more target qubits corresponding to the index value, wherein during the encoding, computing and uncomputing: the multiple control qubits are made available in sequence, and the multiple control qubits correspond to a one-hot encoding of the encoded index value.

Abstract: Methods, systems and apparatus for simulating quantum systems. In one aspect, a method includes the actions of obtaining a first Hamiltonian describing the quantum system, wherein the Hamiltonian is written in a plane wave basis comprising N plane wave basis vectors; applying a discrete Fourier transform to the first Hamiltonian to generate a second Hamiltonian written in a plane wave dual basis, wherein the second Hamiltonian comprises a number of terms that scales at most quadratically with N; and simulating the quantum system using the second Hamiltonian.

Abstract: Methods, systems and apparatus for approximating a target quantum state that is defined as a result of applying a specific rotation operation to an initial quantum state. A method includes determining multiple configurations of T-gates. Each configuration of T-gates includes a number of T-gates that is less than or equal to a predefined total number of T-gates and represents a rotation operation that, when applied to the initial quantum state, produces an evolved quantum state that is an approximation of the target quantum state. A configuration of T-gates that represents a rotation operation with a rotation angle that is closest to a rotation angle of the specific rotation operation is selected from the multiple configurations of T-gates. A rotation operation represented by the selected configuration of T-gates is applied to the initial quantum state to obtain the approximation of the target quantum state.

Abstract: Methods, systems, and apparatus for training quantum evolutions using sub-logical controls. In one aspect, a method includes the actions of accessing quantum hardware, wherein the quantum hardware includes a quantum system comprising one or more multi-level quantum subsystems; one or more control devices that operate on the one or more multi-level quantum subsystems according to one or more respective control parameters that relate to a parameter of a physical environment in which the multi-level quantum subsystems are located; initializing the quantum system in an initial quantum state, wherein an initial set of control parameters form a parameterization that defines the initial quantum state; obtaining one or more quantum system observables and one or more target quantum states; and iteratively training until an occurrence of a completion event.

Abstract: Methods, systems and apparatus for determining properties of a physical system described by an electronic structure Hamiltonian. In one aspect, a Hamiltonian describing the physical system is transformed into a qubit Hamiltonian describing a corresponding system of qubits. The qubit Hamiltonian comprises multiple two-qubit interaction terms, each comprising a respective translation invariant coefficient. The system of qubits is evolved under a unitary operator generated by the multiple two-qubit interaction terms. The evolution includes applying layers of quantum logic gates to the system of qubits, wherein each application of a layer evolves the system of qubits under a unitary operator generated by a respective subset of the multiple two-qubit interaction terms and wherein the value of the coefficients of the subset of the multiple two-qubit interaction terms that generate the unitary operator is constant. The evolved system of qubits is measured and properties of the physical system is determined.

Abstract: Methods, systems and apparatus for simulating quantum systems. In one aspect, a method includes the actions of obtaining a first Hamiltonian describing the quantum system, wherein the Hamiltonian is written in a plane wave basis comprising N plane wave basis vectors; applying a discrete Fourier transform to the first Hamiltonian to generate a second Hamiltonian written in a plane wave dual basis, wherein the second Hamiltonian comprises a number of terms that scales at most quadratically with N; and simulating the quantum system using the second Hamiltonian.

Abstract: Methods, systems and apparatus for estimating an expectation value of a quantum mechanical observable. In one aspect, a method includes identifying a first operator associated with the observable, wherein the first operator comprises a linear combination of terms. One or more constraints on expectation values of one or more of the terms in the linear combination are determined. A second operator is defined, wherein the second operator comprises a combination of the first operator and one or more of the determined constraints. The expectation value of the quantum mechanical observable is estimated using the second operator.

Abstract: Methods, systems, and apparatus for simulating a quantum system. In one aspect, a method includes performing a first quantized quantum algorithm on an initial quantum state to simulate time evolution of a fermionic system and generate a time evolved quantum state; and measuring, by the quantum computer, the time evolved quantum state to obtain one or more reduced density matrices in first quantization, the measuring including performing a classical shadows method that applies separate random Clifford channels to each qubit register of multiple qubit registers that represent respective occupied orbitals in the fermionic system.

Abstract: Methods, systems and apparatus for error correction of fermionic quantum simulation. In one aspect, a method includes representing a fermionic system as a graph of vertices and edges, where each vertex represents a fermionic system fermionic mode and each edge represents an interaction between two respective fermionic modes; allocating a qubit to each edge in the graph to form a qubit system; determining qubit operators that satisfy a set of fermionic commutation and dependence relations, where the qubit operators are non-uniform with respect to the graph vertices; determining stabilizer operators corresponding to products of quadratic Majorana operators on respective loops in the graph, where a common eigenspace of the defined stabilizer operators defines a code subspace that encodes states of the fermionic system to be simulated; and simulating the fermionic system by evolving the qubit system under a qubit Hamiltonian that includes the determined qubit operators and stabilizer operators.

Abstract: Methods, systems, and apparatus for hybrid quantum-classical quantum Monte Carlo.

Abstract: Methods, systems and apparatus for targeting many-body states on a quantum computer. In one aspect, a method includes an adaptive phase shift method that includes preparing the quantum system in an initial state, wherein the initial state has non-zero overlap with the target eigenstate; preparing an ancilla qubit in a zero computational basis state; and iteratively applying a quantum eigenstate locking circuit to the quantum system and ancilla qubit until the state of the quantum system approximates the target eigenstate, wherein the quantum eigenstate locking circuit comprises a phase gate that, at each n-th iteration, is updated using a current average energy estimate of the quantum system.

Abstract: Methods, systems and apparatus for performing quantum state preparation. In one aspect, a method includes the actions of defining a target quantum state of a quantum system, wherein time evolution of the quantum system is governed by a target Hamiltonian, and defining a total Hamiltonian that interpolates between an initial Hamiltonian and the target Hamiltonian, wherein the total Hamiltonian is equal to the initial Hamiltonian at an initial time and is equal to the target Hamiltonian at a final time; approximating the time evolution of the total Hamiltonian using a truncated linear combination of unitary simulations to generate a truncated time evolution operator; evolving a ground state of the initial Hamiltonian according to the truncated time evolution operator for a truncated number of time steps to generate an intermediate state; and variationally adjusting the intermediate state to determine a wavefunction that approximates the target quantum state of the quantum system.

Abstract: Methods, systems and apparatus for approximating a target quantum state. In one aspect, a method for determining a target quantum state includes the actions of receiving data representing a target quantum state of a quantum system as a result of applying a quantum circuit to an initial quantum state of the quantum system; determining an approximate quantum circuit that approximates the specific quantum circuit by adaptively adjusting a number of T gates available to the specific quantum circuit; and applying the determined approximate quantum circuit to the initial quantum state to obtain an approximation of the target quantum state.

Abstract: Methods, systems, and apparatus for training quantum evolutions using sub-logical controls. In one aspect, a method includes the actions of accessing quantum hardware, wherein the quantum hardware includes a quantum system comprising one or more multi-level quantum subsystems; one or more control devices that operate on the one or more multi-level quantum subsystems according to one or more respective control parameters that relate to a parameter of a physical environment in which the multi-level quantum subsystems are located; initializing the quantum system in an initial quantum state, wherein an initial set of control parameters form a parameterization that defines the initial quantum state; obtaining one or more quantum system observables and one or more target quantum states; and iteratively training until an occurrence of a completion event.