ArticleNature communications2023
Evaluating the evidence for exponential quantum advantage in ground-state quantum chemistry.
Article in Nature communications, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 35 papers.
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Who cites it
35 citing papers in PubMed.
- Classical quantum chemical solution of the FeMo-cofactor model to chemical accuracy and its implications.Science advances · 2026Article
- Assessment of the variational quantum eigensolver (VQE) for bond dissociation of HJournal of molecular modeling · 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
- Digital adiabatic evolution is universally accurate.Nature communications · 2026Article
- Quantum computing applications in drug discovery.Briefings in bioinformatics · 2026Review
- Exploring Hückel Molecular Orbital Energies through Variational and Phase Estimation Quantum Algorithms.The journal of physical chemistry letters · 2026Article
- Harnessing Quantum Computing for Energy Materials: Opportunities and Challenges.ACS energy letters · 2026Review
- High-precision and low-depth quantum algorithm design for eigenstate problems.Science advances · 2026Article
- Quantum medicine: A quantum-mechanical framework for redox biology, disease and precision medicine.Clinical and translational medicine · 2026Review
- Efficient quantum thermal simulation.Nature · 2025Article
- The Electronic Structure of the Hydrogen Molecule: A Tutorial Exercise in Classical and Quantum Computation.ACS physical chemistry Au · 2025Article
- Ground-State Energy Estimation on Current Quantum Hardware through the Variational Quantum Eigensolver: A Practical Study.Journal of chemical theory and computation · 2025Article
- Benchmarking Quantum Gates and Circuits.Chemical reviews · 2025Review
- Chemistry beyond the scale of exact diagonalization on a quantum-centric supercomputer.Science advances · 2025Article
- Implicit Solvent Sample-Based Quantum Diagonalization.The journal of physical chemistry. B · 2025Article
- Resource Estimates for Excited-State Calculations of Diarylethenes on Fault-Tolerant Photonic Quantum Computers.ACS omega · 2025Article
- Modeling Heterogeneous Catalysis Using Quantum Computers: An Academic and Industry Perspective.Journal of chemical information and modeling · 2025Review
- Contextual subspace variational quantum eigensolver calculation of the dissociation curve of molecular nitrogen on a superconducting quantum computer.NPJ quantum information · 2025Article
- Accurate quantum-centric simulations of intermolecular interactions.Communications physics · 2025Article
- Parallel Implementation of the Density Matrix Renormalization Group Method Achieving a Quarter petaFLOPS Performance on a Single DGX-H100 GPU Node.Journal of chemical theory and computation · 2024Article
Corrections and comments
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Authors and funding
18 authors.
Funding
Abstract
Due to intense interest in the potential applications of quantum computing, it is critical to understand the basis for potential exponential quantum advantage in quantum chemistry. Here we gather the evidence for this case in the most common task in quantum chemistry, namely, ground-state energy estimation, for generic chemical problems where heuristic quantum state preparation might be assumed to be efficient. The availability of exponential quantum advantage then centers on whether features of the physical problem that enable efficient heuristic quantum state preparation also enable efficient solution by classical heuristics. Through numerical studies of quantum state preparation and empirical complexity analysis (including the error scaling) of classical heuristics, in both ab initio and model Hamiltonian settings, we conclude that evidence for such an exponential advantage across chemical space has yet to be found. While quantum computers may still prove useful for ground-state quantum chemistry through polynomial speedups, it may be prudent to assume exponential speedups are not generically available for this problem.
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