activity
20182025
most citedScaling Up Electronic Structure Calculations on Quantum Computers: The Frozen Natural Orbital Based Method of Increments

31 citations · 40 across the 6 of their papers we have counts for

collaborators

6 papers

quant-ph2025

Offline recovery of magic and entanglement from noisy Pauli product states

Erika Lloyd, Alexandre Fleury, Marc P. Coons +2

The dependence of quantum algorithms on state fidelity is difficult to characterize analytically and is best explored experimentally as hardware scales and noisy simulations become…

quant-ph2022

Iterative Qubit Coupled Cluster using only Clifford circuits

James Brown, Marc P. Coons, Erika Lloyd +4

The performance of quantum algorithms for ground-state energy estimation is directly impacted by the quality of the initial state, where quality is traditionally defined in terms o…

quant-ph2022★ 5 cited

Tangelo: An Open-source Python Package for End-to-end Chemistry Workflows on Quantum Computers

Valentin Senicourt, James Brown, Alexandre Fleury +10

Tangelo [link: https://github.com/goodchemistryco/Tangelo] is an open-source Python software package for the development of end-to-end chemistry workflows on quantum computers, rel…

quant-ph2021★ 3 cited

Optimizing Electronic Structure Simulations on a Trapped-ion Quantum Computer using Problem Decomposition

Yukio Kawashima, Erika Lloyd, Marc P. Coons +12

Quantum computers have the potential to advance material design and drug discovery by performing costly electronic structure calculations. A critical aspect of this application req…

quant-ph2020★ 31 cited

Scaling Up Electronic Structure Calculations on Quantum Computers: The Frozen Natural Orbital Based Method of Increments

Prakash Verma, Lee Huntington, Marc Coons +3

The method of increments and frozen natural orbital (MI-FNO) framework is introduced to help expedite the application of noisy, intermediate-scale quantum~(NISQ) devices for quantu…

quant-ph2018★ 1 cited

A Variable Neighbourhood Descent Heuristic for Conformational Search Using a Quantum Annealer

D. J. J. Marchand, M. Noori, A. Roberts +6

Discovering the low-energy conformations of a molecule is of great interest to computational chemists, with applications in {\em in silico} materials design and drug discovery. In…