Related papers: Accurate and gate-efficient quantum ans\"atze for …
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…
Recently, the development of quantum chips has made great progress-- the number of qubits is increasing and the fidelity is getting higher. However, qubits of these chips are not always fully connected, which sets additional barriers for…
Calculations of molecular spectral properties, like photodissociation rates and absorption bands, rely on knowledge of the excited state energies of the molecule of interest. Protocols based on the variational quantum eigensolver (VQE) are…
Current experimental quantum computing devices are limited by noise, mainly originating from entangling gates. If an efficient gate sequence for an operation is unknown, one often employs layered parameterized quantum circuits, especially…
We develop an optimal control algorithm for robust quantum gate preparation in open environments with the state of the quantum system represented using the Lindblad master equation. The algorithm is based on adaptive linearization and…
Quantum Phase Estimation (QPE) is a cornerstone algorithm for fault-tolerant quantum computation, especially for electronic structure calculations of chemical systems. To accommodate the diverse characteristics of quantum chemical systems,…
We propose a two-qubit collisional phase gate that can be implemented with available atom chip technology, and present a detailed theoretical analysis of its performance. The gate is based on earlier phase gate schemes, but uses a qubit…
Quantum computing is a promising technology because of the ability of quantum computers to process vector spaces with dimensions that increase exponentially with the simulated system size. Extracting the solution, however, is challenging as…
Quantum chemistry calculations of large, strongly correlated systems are typically limited by the computation cost that scales exponentially with the size of the system. Quantum algorithms, designed specifically for quantum computers, can…
Quantum computers promise to efficiently solve important problems that are intractable on a conventional computer. For quantum systems, where the dimension of the problem space grows exponentially, finding the eigenvalues of certain…
High precision measurements are essential to solve major scientific and technological challenges, from gravitational wave detection to healthcare diagnostics. Quantum sensing delivers greater precision, but an in-depth optimisation of…
The fundamental problem faced in quantum chemistry is the calculation of molecular properties, which are of practical importance in fields ranging from materials science to biochemistry. Within chemical precision, the total energy of a…
Computing the electronic structure of molecules with high precision is a central challenge in the field of quantum chemistry. Despite the enormous success of approximate methods, tackling this problem exactly with conventional computers is…
Quantum computers can be used to calculate the electronic structure and estimate the ground state energy of many-electron molecular systems. In the present study, we implement the Variational Quantum Eigensolver (VQE) algorithm, as a hybrid…
We consider the question of how correlated the system hardness is between classical algorithms of electronic structure theory in ground state estimation and quantum algorithms. To define the system hardness for classical algorithms we…
The electron pair approximation offers a resource efficient variational quantum eigensolver (VQE) approach for quantum chemistry simulations on quantum computers. With the number of entangling gates scaling quadratically with system size…
There is no unique way to encode a quantum algorithm into a quantum circuit. With limited qubit counts, connectivity, and coherence times, a quantum circuit optimization is essential to make the best use of near-term quantum devices. We…
Molecular quantum simulations with the variational quantum eigensolver (VQE) rely on ansatz states that approximate the molecular ground states. These ansatz states are generally defined by parametrized fermionic excitation operators and an…
A novel parallel hybrid quantum-classical algorithm for the solution of the quantum-chemical ground-state energy problem on gate-based quantum computers is presented. This approach is based on the reduced density-matrix functional theory…
Recent advances in quantum computing devices have brought attention to hybrid quantum-classical algorithms like the Variational Quantum Eigensolver (VQE) as a potential route to practical quantum advantage in chemistry. However, it is not…