Related papers: Quantum algorithms for electronic structure calcul…
We propose a modification of the Variational Quantum Eigensolver algorithm for electronic structure optimization using quantum computers, named non-unitary Variational Quantum Eigensolver (nu-VQE), in which a non-unitary operator is…
The recently introduced coupled cluster (CC) downfolding techniques for reducing the dimensionality of quantum many-body problems recast the CC formalism in the form of the renormalization procedure allowing, for the construction of…
Gate model quantum computers with too many qubits to be simulated by available classical computers are about to arrive. We present a strategy for programming these devices without error correction or compilation. This means that the number…
Quantum computing has the potential to reduce the computational cost required for quantum dynamics simulations. However, existing quantum algorithms for coupled electron-nuclear dynamics simulation either require fault-tolerant devices, or…
We develop circuit implementations for digital-level quantum Hamiltonian dynamics simulation algorithms suitable for implementation on a reconfigurable quantum computer, such as trapped ions. Our focus is on the co-design of a problem, its…
The ability of quantum computers to overcome the exponential memory scaling of many-body problems is expected to transform quantum chemistry. Quantum algorithms require accurate representations of electronic states on a quantum device, but…
Combinatorial optimization is a promising application for near-term quantum computers, however, identifying performant algorithms suited to noisy quantum hardware remains as an important goal to potentially realizing quantum computational…
At large scales, quantum systems may become advantageous over their classical counterparts at performing certain tasks. Developing tools to analyse these systems at the relevant scales, in a manner consistent with quantum mechanics, is…
This paper discusses quantum algorithms for the generator coordinate method (GCM) that can be used to benchmark molecular systems. The GCM formalism defined by exponential operators with exponents defined through generators of the Fermionic…
A primary objective of quantum computation is to efficiently simulate quantum physics. Scientifically and technologically important quantum Hamiltonians include those with spin-$s$, vibrational, photonic, and other bosonic degrees of…
We present an efficient and precise framework to quantum simulate the dynamics of the ultra-relativistic quark-nucleus scattering. This framework employs the eigenbasis of the asymptotic scattering system and implements a compact scheme for…
A new approach to efficient quantum computation with probabilistic gates is proposed and analyzed in both a local and non-local setting. It combines heralded gates previously studied for atom or atom-like qubits with logical encoding from…
A common requirement of quantum simulations and algorithms is the preparation of complex states through sequences of 2-qubit gates. For a generic quantum state, the number of gates grows exponentially with the number of qubits, becoming…
Quantum computation represents a revolutionary approach for solving problems in quantum chemistry. However, due to the limited quantum resources in the current noisy intermediate-scale quantum (NISQ) devices, quantum algorithms for large…
Unitary and non-unitary diagonal operators are fundamental building blocks in quantum algorithms with applications in the resolution of partial differential equations, Hamiltonian simulations, the loading of classical data on quantum…
We present a novel benchmark application of a quantum algorithm to Feynman loop integrals. The two on-shell states of a Feynman propagator are identified with the two states of a qubit and a quantum algorithm is used to unfold the causal…
Quantum algorithms for electronic-structure simulations are actively being developed, yet many hybrid quantum-classical approaches are bottlenecked by the measurement overhead associated with large molecular Hamiltonians. Here we introduce…
Hamiltonian simulation, i.e., simulating the real time evolution of a target quantum system, is a natural application of quantum computing. Trotter-Suzuki splitting methods can generate corresponding quantum circuits; however, a faithful…
Quantum computers are the ideal platform for quantum simulations. Given enough coherent operations and qubits, such machines can be leveraged to simulate strongly correlated materials, where intricate quantum effects give rise to…
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…