ArticleScience advances2025
Chemistry beyond the scale of exact diagonalization on a quantum-centric supercomputer.
Article in Science advances, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 23 papers.
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Who cites it
23 citing papers in PubMed.
- Large-Scale Quantum Computing Emulation for Accurate Triplet States of Ir(III) and Pt(II) Phosphorescent Emitters.Journal of the American Chemical Society · 2026Article
- Selecting Optimal Unrestricted Hartree-Fock Trial Wave Functions for Phaseless Auxiliary-Field Quantum Monte Carlo: Accuracy and Limitations in Modeling Three Iron-Sulfur Clusters.Journal of chemical theory and computation · 2026Article
- Utility-Scale Quantum Computational Chemistry.The journal of physical chemistry letters · 2026Review
- Localized sample-based quantum diagonalization for strongly correlated chemistry.Proceedings of the National Academy of Sciences of the United States of America · 2026Article
- Quantum-Centric Alchemical Free Energy Calculations.Journal of chemical theory and computation · 2026Article
- Molecular Quantum Computations on a Protein.Journal of chemical theory and computation · 2026Article
- Scaling active spaces in simulations of surface reactions through sample-based quantum diagonalization.Scientific reports · 2026Article
- Selected Configuration Interaction Using Time-Evolved Population Statistics.Journal of chemical theory and computation · 2026Article
- Advancing single-cell omics and cell-based therapeutics with quantum computing.Nature reviews. Molecular cell biology · 2026Review
- Evaluating Sample-Based Krylov Quantum Diagonalization for Heisenberg Models with Applications to Materials Science.Entropy (Basel, Switzerland) · 2026Article
- Harnessing Quantum Computing for Energy Materials: Opportunities and Challenges.ACS energy letters · 2026Review
- A Hybrid Quantum Computing Method for UV-Vis Spectroscopy of Solvated Molecules at Room Temperature.The journal of physical chemistry. A · 2025Article
- Exploring the Frontiers of Computational NMR: Methods, Applications, and Challenges.Chemical reviews · 2025Review
- Article
- Ground-State Energy Estimation on Current Quantum Hardware through the Variational Quantum Eigensolver: A Practical Study.Journal of chemical theory and computation · 2025Article
- Krylov diagonalization of large many-body Hamiltonians on a quantum processor.Nature communications · 2025Article
- Implicit Solvent Sample-Based Quantum Diagonalization.The journal of physical chemistry. B · 2025Article
- Quantum-Centric Computational Study of Methylene Singlet and Triplet States.Journal of chemical theory and computation · 2025Article
- Understanding and mitigating noise in molecular quantum linear response for spectroscopic properties on quantum computers.Chemical science · 2025Article
- Quantum Computing Approach to Fixed-Node Monte Carlo Using Classical Shadows.Journal of chemical theory and computation · 2025Article
Corrections and comments
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Authors and funding
17 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
A universal quantum computer can simulate diverse quantum systems, with electronic structure for chemistry offering challenging problems for practical use cases around the hundred-qubit mark. Although current quantum processors have reached this size, deep circuits and a large number of measurements lead to prohibitive runtimes for quantum computers in isolation. Here, we demonstrate the use of classical distributed computing to offload all but an intrinsically quantum component of a workflow for electronic structure simulations. Using a Heron superconducting processor and the supercomputer Fugaku, we simulate the ground-state dissociation of N
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