4 papers
Optimizing and Comparing Quantum Resources of Statistical Phase Estimation and Krylov Subspace Diagonalization
Oumarou Oumarou, Pauline J. Ollitrault, Stefano Polla +1
We develop a framework that enables direct and meaningful comparison of two early fault-tolerant methods for the computation of eigenenergies, namely \gls{qksd} and \gls{spe}, with…
Improving the runtime of quantum phase estimation for chemistry through basis set optimization
Pauline J. Ollitrault, Jerome F. Gonthier, Dario Rocca +5
Quantum phase estimation (QPE) is a promising quantum algorithm for obtaining molecular ground-state energies with chemical accuracy. However, its computational cost, dominated by…
Refining resource estimation for the quantum computation of vibrational molecular spectra through Trotter error analysis
Dimitar Trenev, Pauline J Ollitrault, Stuart M. Harwood +4
Accurate simulations of vibrational molecular spectra are expensive on conventional computers. Compared to the electronic structure problem, the vibrational structure problem with…
Molecular Properties from Quantum Krylov Subspace Diagonalization
Oumarou Oumarou, Pauline J. Ollitrault, Cristian L. Cortes +3
Quantum Krylov subspace diagonalization is a prominent candidate for early fault tolerant quantum simulation of many-body and molecular systems, but so far the focus has been mainl…