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20232026
most citedQuantum Simulation of Realistic Materials in First Quantization Using Non-local Pseudopotentials

15 citations · 49 across the 7 of their papers we have counts for

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quant-ph2026

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…

quant-ph20255 cited

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…

quant-ph2024

Error mitigation and circuit division for early fault-tolerant quantum phase estimation

Alicja Dutkiewicz, Stefano Polla, Maximilian Scheurer +3

As fully fault-tolerant quantum computers capable of solving useful problems remain a distant goal, we anticipate an era of "early fault tolerance" where limited error correction i…

quant-ph2024

Tailored and Externally Corrected Coupled Cluster with Quantum Inputs

Maximilian Scheurer, Gian-Luca R. Anselmetti, Oumarou Oumarou +2

We propose to use wavefunction overlaps obtained from a quantum computer as inputs for the classical split-amplitude techniques, tailored and externally corrected coupled cluster,…

quant-ph2023

Estimation of electrostatic interaction energies on a trapped-ion quantum computer

Pauline J. Ollitrault, Matthias Loipersberger, Robert M. Parrish +12

We present the first hardware implementation of electrostatic interaction energies using a trapped-ion quantum computer. As test system for our computation, we focus on the reducti…

quant-ph2023

Quantum Simulation of Realistic Materials in First Quantization Using Non-local Pseudopotentials

Dominic W. Berry, Nicholas C. Rubin, Ahmed O. Elnabawy +5

This paper improves and demonstrates the usefulness of the first quantized plane-wave algorithms for the quantum simulation of electronic structure, developed by Babbush et al. and…