105 citations · 336 across the 19 of their papers we have counts for
21 papers
Efficient Block Encodings for Ensembles of Molecular Hamiltonians
Cristian L. Cortes, Andrew J. Jenkins, William Pol +8
Accurately characterizing molecular properties and reactivity often requires electronic-structure calculations across an ensemble of molecular geometries. Quantum algorithms that p…
Benchmarking a randomized quantum algorithm for estimating expectation values of molecular observables
Anna Schroeder, Gian-Luca R. Anselmetti, Matthias Degroote +5
Randomized quantum algorithms for the estimation of expectation values of molecular observables offer a promising route to early fault-tolerant quantum advantage by trading circuit…
Assessing System Capabilities and Bottlenecks of an Early Fault-Tolerant Bicycle Architecture
Kun Liu, Ben Foxman, Gian-Luca R. Anselmetti +1
Early modular fault tolerant quantum computers remain constrained by costly inter-module communication and limited magic state factory service. Understanding such bottlenecks and i…
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…
Fullqubit alchemist: Quantum algorithm for alchemical free energy calculations
Po-Wei Huang, Gregory Boyd, Gian-Luca R. Anselmetti +11
Accurately computing the free energies of biological processes is a cornerstone of computer-aided drug design, but it is a daunting task. The need to sample vast conformational spa…
Dividing and Conquering the Van Vleck Catastrophe
Sophia Simon, Gian-Luca R. Anselmetti, Raffaele Santagati +4
The quantum-computational cost of determining ground state energies through quantum phase estimation depends on the overlap between an easily preparable initial state and the targe…
Faster quantum chemistry simulations on a quantum computer with improved tensor factorization and active volume compilation
Athena Caesura, Cristian L. Cortes, William Pol +8
Electronic structure calculations of molecular systems are among the most promising applications for fault-tolerant quantum computing (FTQC) in quantum chemistry and drug design. H…
Classical optimisation of reduced density matrix estimations with classical shadows using N-representability conditions under shot noise considerations
Gian-Luca R. Anselmetti, Matthias Degroote, Nikolaj Moll +2
Classical shadow tomography has become a powerful tool in learning about quantum states prepared on a quantum computer. Recent works have used classical shadows to variationally en…
Enhancing initial state overlap through orbital optimization for faster molecular electronic ground-state energy estimation
Pauline J. Ollitrault, Cristian L. Cortes, Jerome F. Gonthier +7
The quantum phase estimation algorithm stands as the primary method for determining the ground state energy of a molecular electronic Hamiltonian on a quantum computer. In this con…
Reducing the runtime of fault-tolerant quantum simulations in chemistry through symmetry-compressed double factorization
Dario Rocca, Cristian L. Cortes, Jerome Gonthier +7
Quantum phase estimation based on qubitization is the state-of-the-art fault-tolerant quantum algorithm for computing ground-state energies in chemical applications. In this contex…
Assessing the query complexity limits of quantum phase estimation using symmetry aware spectral bounds
Cristian L. Cortes, Dario Rocca, Jerome Gonthier +7
The computational cost of quantum algorithms for physics and chemistry is closely linked to the spectrum of the Hamiltonian, a property that manifests in the necessary rescaling of…
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…
Classical and quantum cost of measurement strategies for quantum-enhanced auxiliary field Quantum Monte Carlo
Matthew Kiser, Anna Schroeder, Gian-Luca R. Anselmetti +4
Quantum-enhanced auxiliary field quantum Monte Carlo (QC-AFQMC) uses output from a quantum computer to increase the accuracy of its classical counterpart. The algorithm requires th…
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…
Analytical Ground- and Excited-State Gradients for Molecular Electronic Structure Theory from Hybrid Quantum/Classical Methods
Robert M. Parrish, Gian-Luca R. Anselmetti, Christian Gogolin
We develop analytical gradients of ground- and excited-state energies with respect to system parameters including the nuclear coordinates for the hybrid quantum/classical multistat…
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…
End-to-end correlated subgap states in hybrid nanowires
G. L. R. Anselmetti, E. A. Martinez, G. C. Ménard +9
End-to-end correlated bound states are investigated in superconductor-semiconductor hybrid nanowires at zero magnetic field. Peaks in subgap conductance are independently identifie…
Conductance-matrix symmetries of a three-terminal hybrid device
G. C. Ménard, G. L. R. Anselmetti, E. A. Martinez +10
We present conductance-matrix measurements of a three-terminal superconductor-semiconductor hybrid device consisting of two normal leads and one superconducting lead. Using a symme…