155 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Google (United States)US4 papers
- Leiden UniversityNL3 papers
- Science Wares (United States)US3 papers
- Max Planck Institute of Quantum OpticsDE2 papers
- University of CologneDE2 papers
- Alpine Quantum Technologies (Austria)AT1 paper
- Amazon (United States)US1 paper
- Auburn UniversityUS1 paper
- Boehringer Ingelheim (Germany)DE1 paper
- Columbia UniversityUS1 paper
- Florida State UniversityUS1 paper
- Harvard UniversityUS1 paper
14 papers
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…
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…
Simulating Chemistry with Fermionic Optical Superlattices
Fotios Gkritsis, Daniel Dux, Jin Zhang +3
We show that quantum number preserving Ansätze for variational optimization in quantum chemistry find an elegant mapping to ultracold fermions in optical superlattices. Using nativ…
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,…
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…
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…
Accelerating Quantum Computations of Chemistry Through Regularized Compressed Double Factorization
Oumarou Oumarou, Maximilian Scheurer, Robert M. Parrish +2
We propose the regularized compressed double factorization (RC-DF) method to classically compute compressed representations of molecular Hamiltonians that enable efficient simulati…
Purification-based quantum error mitigation of pair-correlated electron simulations
T. E. O'Brien, G. Anselmetti, F. Gkritsis +173
An important measure of the development of quantum computing platforms has been the simulation of increasingly complex physical systems. Prior to fault-tolerant quantum computing,…
Efficient Quantum Analytic Nuclear Gradients with Double Factorization
Edward G. Hohenstein, Oumarou Oumarou, Rachael Al-Saadon +4
Efficient representations of the Hamiltonian such as double factorization drastically reduce circuit depth or number of repetitions in error corrected and noisy intermediate scale…
Optimizing the information extracted by a single qubit measurement
Stefano Polla, Gian-Luca R. Anselmetti, Thomas E. O'Brien
We consider a quantum computation that only extracts one bit of information per -qubit quantum state preparation. This is relevant for error mitigation schemes where the remaind…
Local, Expressive, Quantum-Number-Preserving VQE Ansatze for Fermionic Systems
Gian-Luca R. Anselmetti, David Wierichs, Christian Gogolin +1
We propose VQE circuit fabrics with advantageous properties for the simulation of strongly correlated ground and excited states of molecules and materials under the Jordan-Wigner m…
Locality of temperature and correlations in the presence of non-zero-temperature phase transitions
Senaida Hernández Santana, Andras Molnar, Christian Gogolin +2
While temperature is well understood as an intensive quantity in standard thermodynamics, it is less clear whether the same holds in the presence of strong correlations, especially…
Avoiding local minima in variational quantum eigensolvers with the natural gradient optimizer
David Wierichs, Christian Gogolin, Michael Kastoryano
We compare the BFGS optimizer, ADAM and Natural Gradient Descent (NatGrad) in the context of Variational Quantum Eigensolvers (VQEs). We systematically analyze their performance on…
Simulating quantum chemistry in the seniority-zero space on qubit-based quantum computers
Vincent E. Elfving, Marta Millaruelo, José A. Gámez +1
Accurate quantum chemistry simulations remain challenging on classical computers for problems of industrially relevant sizes and there is reason for hope that quantum computing may…