Litcius/Paper detail

Hardware efficient quantum algorithms for vibrational structure calculations

Pauline J. Ollitrault, Alberto Baiardi, Markus Reiher, Ivano Tavernelli

2020Chemical Science89 citationsDOIOpen Access PDF

Abstract

. In particular, we define a novel compact heuristic circuit and demonstrate that it provides a good compromise in terms of circuit depth, optimization costs, and accuracy. We evaluate the requirements, number of qubits and circuit depth, for the calculation of vibrational energies on quantum hardware and compare them with state-of-the-art classical vibrational structure algorithms for molecules with up to seven atoms.

Topics & Concepts

QuantumComputer scienceAlgorithmQuantum algorithmComputational sciencePhysicsQuantum mechanicsQuantum Computing Algorithms and ArchitectureQuantum Information and CryptographyQuantum-Dot Cellular Automata