activity
20192026
most citedAnalytical Ground- and Excited-State Gradients for Molecular Electronic Structure Theory from Hybrid Quantum/Classical Methods

6 citations · 9 across the 5 of their papers we have counts for

collaborators
Showing quant-phShow all

6 papers · 1 filter

quant-ph2026

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…

quant-ph2025

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…

quant-ph20251 cited

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…

quant-ph2024

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…

quant-ph20242 cited

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…

quant-ph20216 cited

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…