Reference · 2005

Simulated quantum computation of molecular energies

Aspuru-Guzik, A., Dutoi, A. D., Love, P. J., & Head-Gordon, M. (2005). Simulated quantum computation of molecular energies. Science, 309(5741), 1704–1707.

DOI Record link

Authors: Alán Aspuru-Guzik; Anthony D. Dutoi; Peter J. Love; Martin Head-Gordon
Venue: Science 309, 1704–1707

Cited from the chemistry stub, from quantum phase estimation, and from VQE as the phase-estimation proposal for molecular energies. The contrast in Peruzzo et al. is that this route needs a long coherent evolution. This record is not a VQE paper.

Cited by

Chemistrytopic
Hamiltonian simulationalgorithm
Quantum phase estimationalgorithm
Variational quantum eigensolveralgorithm

Updated 12 Oct 2026.