ArticleThe journal of physical chemistry. A2025
Exploring Quantum Computing for Metal Cluster Analysis.
Article in The journal of physical chemistry. A, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
1 citing paper in PubMed.
- BenchQC: A Benchmarking Toolkit for Quantum Computation.Journal of computational chemistry · 2025Article
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Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
This study explores the application of quantum computing to metal cluster analysis through the development and implementation of a quantum-DFT embedding workflow. Classical computational methods, while transformative, often face limitations in achieving chemical accuracy and computational efficiency, particularly for nanoscale systems. To address these challenges, we integrate the Variational Quantum Eigensolver (VQE) with density functional theory (DFT), leveraging the capabilities of quantum computing aiming to improve the modeling of electronic structures. Aluminum and gold clusters were used as model systems to test the established workflow. The workflow successfully determined electronic properties for aluminum clusters up to Al
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Registered trials
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