ArticleJournal of chemical theory and computation2024
Physically Motivated Improvements of Variational Quantum Eigensolvers.
Article in Journal of chemical theory and computation, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
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Who cites it
5 citing papers in PubMed.
- Exploring Hückel Molecular Orbital Energies through Variational and Phase Estimation Quantum Algorithms.The journal of physical chemistry letters · 2026Article
- Determining the EnsembleJournal of chemical theory and computation · 2026Article
- Pruned-ADAPT-VQE: Compacting Molecular Ansätze by Removing Irrelevant Operators.Journal of chemical theory and computation · 2025Article
- Quantum Computer Simulation of Molecules in Optical Cavity.Precision chemistry · 2025Article
- Determining theJournal of chemical theory and computation · 2024Article
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Authors and funding
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The adaptive derivative-assembled pseudo-Trotter variational quantum eigensolver (ADAPT-VQE) has emerged as a pivotal promising approach for electronic structure challenges in quantum chemistry with noisy quantum devices. Nevertheless, to surmount existing technological constraints, this study endeavors to enhance ADAPT-VQE's efficacy. Leveraging insights from the electronic structure theory, we concentrate on optimizing state preparation without added computational burden and guiding ansatz expansion to yield more concise wave functions with expedited convergence toward exact solutions. These advancements culminate in shallower circuits and, as demonstrated, reduced measurement requirements. This research delineates these enhancements and assesses their performance across mono, di, and tridimensional arrangements of H
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